Hydrochloric Acid → 1-(2-Methoxy-5-methylsulfonylbenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine
반응식
[CH2:17]([CH3:18])[O:19][CH2:20][CH2:21][n:22]1[c:23]([N:31]2[CH2:32][CH2:33][N:34]([CH2:38][CH2:39][C:40]3([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[CH2:41][NH:42][CH2:43][CH2:44]3)[CH2:35][CH2:36][CH2:37]2)[n:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2.[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([S:12](=[O:13])(=[O:14])[CH3:15])[cH:10][cH:11]1.[ClH:16]>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[N:42]2[CH2:41][C:40]([CH2:39][CH2:38][N:34]3[CH2:33][CH2:32][N:31]([c:23]4[n:22]([CH2:21][CH2:20][O:19][CH2:17][CH3:18])[c:26]5[c:25]([n:24]4)[cH:30][cH:29][cH:28][cH:27]5)[CH2:37][CH2:36][CH2:35]3)([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[CH2:44][CH2:43]2)[cH:8][c:9]([S:12](=[O:13])(=[O:14])[CH3:15])[cH:10][cH:11]1참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-d3eb8392c76d48c4a01c99d146550878
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)