Benzene → 8-chloro-6,11-dihydro-11-(1-cyano-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
반응식
[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[CH2:7][CH2:8][c:9]1[c:10]([n:11][cH:12][cH:13][cH:14]1)[C:15]2=[C:16]1[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]1.[N:24]#[C:25][Br:26].[cH:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[CH2:7][CH2:8][c:9]1[c:10]([n:11][cH:12][cH:13][cH:14]1)[C:15]2=[C:16]1[CH2:17][CH2:18][N:19]([C:22]#[N:24])[CH2:20][CH2:21]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-b6de98513a204c57bf174f362a66ecae
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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