JPH0564390B2 - - Google Patents
Info
- Publication number
- JPH0564390B2 JPH0564390B2 JP60213184A JP21318485A JPH0564390B2 JP H0564390 B2 JPH0564390 B2 JP H0564390B2 JP 60213184 A JP60213184 A JP 60213184A JP 21318485 A JP21318485 A JP 21318485A JP H0564390 B2 JPH0564390 B2 JP H0564390B2
- Authority
- JP
- Japan
- Prior art keywords
- reaction
- bond
- chemical
- nodes
- bonds
- Prior art date
- Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
- Expired - Fee Related
Links
- 238000006243 chemical reaction Methods 0.000 claims description 138
- 239000000126 substance Substances 0.000 claims description 81
- 239000007858 starting material Substances 0.000 claims description 36
- 230000007704 transition Effects 0.000 claims description 34
- 238000000034 method Methods 0.000 claims description 31
- 238000012545 processing Methods 0.000 claims description 14
- 230000008859 change Effects 0.000 claims description 7
- 239000000284 extract Substances 0.000 claims description 3
- 239000000047 product Substances 0.000 description 29
- 150000001875 compounds Chemical group 0.000 description 21
- 239000000463 material Substances 0.000 description 15
- 238000010586 diagram Methods 0.000 description 14
- 230000014509 gene expression Effects 0.000 description 11
- VEXZGXHMUGYJMC-UHFFFAOYSA-N Hydrochloric acid Chemical compound Cl VEXZGXHMUGYJMC-UHFFFAOYSA-N 0.000 description 10
- XEKOWRVHYACXOJ-UHFFFAOYSA-N Ethyl acetate Chemical compound CCOC(C)=O XEKOWRVHYACXOJ-UHFFFAOYSA-N 0.000 description 9
- 238000012216 screening Methods 0.000 description 8
- 125000004429 atom Chemical group 0.000 description 7
- 238000003541 multi-stage reaction Methods 0.000 description 5
- 230000000704 physical effect Effects 0.000 description 5
- 238000007363 ring formation reaction Methods 0.000 description 5
- 238000009825 accumulation Methods 0.000 description 4
- 238000010931 ester hydrolysis Methods 0.000 description 4
- 239000000376 reactant Substances 0.000 description 4
- QTBSBXVTEAMEQO-UHFFFAOYSA-N Acetic acid Chemical compound CC(O)=O QTBSBXVTEAMEQO-UHFFFAOYSA-N 0.000 description 3
- 230000001747 exhibiting effect Effects 0.000 description 3
- 238000000605 extraction Methods 0.000 description 3
- 238000006460 hydrolysis reaction Methods 0.000 description 3
- 238000006053 organic reaction Methods 0.000 description 3
- 230000008569 process Effects 0.000 description 3
- 238000003672 processing method Methods 0.000 description 3
- 238000011160 research Methods 0.000 description 3
- 238000003385 ring cleavage reaction Methods 0.000 description 3
- 238000007142 ring opening reaction Methods 0.000 description 3
- 238000003786 synthesis reaction Methods 0.000 description 3
- LFQSCWFLJHTTHZ-UHFFFAOYSA-N Ethanol Chemical compound CCO LFQSCWFLJHTTHZ-UHFFFAOYSA-N 0.000 description 2
- YTAHJIFKAKIKAV-XNMGPUDCSA-N [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Chemical compound O=C1[C@H](N=C(C2=C(N1)C=CC=C2)C1=CC=CC=C1)NC(O[C@H](CCN1CCOCC1)C1=CC=CC=C1)=O YTAHJIFKAKIKAV-XNMGPUDCSA-N 0.000 description 2
- 125000003118 aryl group Chemical group 0.000 description 2
- 230000008901 benefit Effects 0.000 description 2
- 230000015572 biosynthetic process Effects 0.000 description 2
- 230000008878 coupling Effects 0.000 description 2
- 238000010168 coupling process Methods 0.000 description 2
- 238000005859 coupling reaction Methods 0.000 description 2
- 125000000623 heterocyclic group Chemical group 0.000 description 2
- 238000004519 manufacturing process Methods 0.000 description 2
- 238000005648 named reaction Methods 0.000 description 2
- 150000002894 organic compounds Chemical class 0.000 description 2
- 230000008707 rearrangement Effects 0.000 description 2
- 238000006798 ring closing metathesis reaction Methods 0.000 description 2
- 238000003860 storage Methods 0.000 description 2
- 150000001338 aliphatic hydrocarbons Chemical class 0.000 description 1
- 238000004458 analytical method Methods 0.000 description 1
- 239000006227 byproduct Substances 0.000 description 1
- 125000004432 carbon atom Chemical group C* 0.000 description 1
- 239000003054 catalyst Substances 0.000 description 1
- 239000007795 chemical reaction product Substances 0.000 description 1
- 239000007805 chemical reaction reactant Substances 0.000 description 1
- 125000004122 cyclic group Chemical group 0.000 description 1
- 238000011161 development Methods 0.000 description 1
- 238000007905 drug manufacturing Methods 0.000 description 1
- 150000002148 esters Chemical class 0.000 description 1
- 238000011156 evaluation Methods 0.000 description 1
- 239000012634 fragment Substances 0.000 description 1
- 125000000524 functional group Chemical group 0.000 description 1
- 229910052736 halogen Inorganic materials 0.000 description 1
- 150000002367 halogens Chemical class 0.000 description 1
- 230000007062 hydrolysis Effects 0.000 description 1
- 230000010365 information processing Effects 0.000 description 1
- 230000002452 interceptive effect Effects 0.000 description 1
- 239000003550 marker Substances 0.000 description 1
- 239000002184 metal Substances 0.000 description 1
- 125000002496 methyl group Chemical group [H]C([H])([H])* 0.000 description 1
- 125000001570 methylene group Chemical group [H]C([H])([*:1])[*:2] 0.000 description 1
- 238000000302 molecular modelling Methods 0.000 description 1
- 125000000896 monocarboxylic acid group Chemical group 0.000 description 1
- 230000003287 optical effect Effects 0.000 description 1
- 238000004904 shortening Methods 0.000 description 1
- 241000894007 species Species 0.000 description 1
- 230000003595 spectral effect Effects 0.000 description 1
- 238000012916 structural analysis Methods 0.000 description 1
- 238000005556 structure-activity relationship Methods 0.000 description 1
- 125000001424 substituent group Chemical group 0.000 description 1
- 238000002907 substructure search Methods 0.000 description 1
- 230000002194 synthesizing effect Effects 0.000 description 1
- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 0.000 description 1
Landscapes
- Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
Priority Applications (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| JP60213184A JPS6272027A (ja) | 1985-09-25 | 1985-09-25 | 化学物質構造の記録・検索方法 |
Applications Claiming Priority (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| JP60213184A JPS6272027A (ja) | 1985-09-25 | 1985-09-25 | 化学物質構造の記録・検索方法 |
Publications (2)
| Publication Number | Publication Date |
|---|---|
| JPS6272027A JPS6272027A (ja) | 1987-04-02 |
| JPH0564390B2 true JPH0564390B2 (fr) | 1993-09-14 |
Family
ID=16634931
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| JP60213184A Granted JPS6272027A (ja) | 1985-09-25 | 1985-09-25 | 化学物質構造の記録・検索方法 |
Country Status (1)
| Country | Link |
|---|---|
| JP (1) | JPS6272027A (fr) |
Families Citing this family (2)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| JPH07107683B2 (ja) * | 1989-07-21 | 1995-11-15 | 三菱電機株式会社 | 画像検索装置 |
| JP2024146232A (ja) * | 2023-03-31 | 2024-10-15 | 住友化学株式会社 | 情報提供装置、情報提供方法及びコンピュータープログラム |
-
1985
- 1985-09-25 JP JP60213184A patent/JPS6272027A/ja active Granted
Also Published As
| Publication number | Publication date |
|---|---|
| JPS6272027A (ja) | 1987-04-02 |
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Legal Events
| Date | Code | Title | Description |
|---|---|---|---|
| LAPS | Cancellation because of no payment of annual fees |