Ethyl nipecotate → 6-[3,5-Bis(trifluoromethyl)benzyl]-2-[3-(ethoxycarbonyl)piperidine-1-yl]-5,6,7,8,9,10-hexahydro-4-(2-methylphenyl)-5-oxopyrimido[4,5-b][1,5]diazocine
반응식
[CH2:40]([CH3:41])[O:42][C:43](=[O:44])[CH:45]1[CH2:46][NH:47][CH2:48][CH2:49][CH2:50]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:30])[c:9]3[c:10]([n:15][c:16]([S:26]([CH3:27])(=[O:28])=[O:29])[n:17][c:18]3-[c:19]3[c:20]([CH3:25])[cH:21][cH:22][cH:23][cH:24]3)[NH:11][CH2:12][CH2:13][CH2:14]2)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:30])[c:9]3[c:10]([n:15][c:16]([N:47]4[CH2:46][CH:45]([C:43]([O:42][CH2:40][CH3:41])=[O:44])[CH2:50][CH2:49][CH2:48]4)[n:17][c:18]3-[c:19]3[c:20]([CH3:25])[cH:21][cH:22][cH:23][cH:24]3)[NH:11][CH2:12][CH2:13][CH2:14]2)[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39]참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-481cea8216df423b854ae7ad2ecb52e4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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