1-Chloro-3-methyl-2-butene → 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(3-methylbut-2-en-1-yl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine
반응식
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)([CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH:24]([NH:27][c:28]4[n:29][c:30]5[c:31]([nH:32]4)[cH:33][cH:34][cH:35][cH:36]5)[CH2:25][CH2:26]3)[CH2:11][CH2:12]2)[cH:37][c:38]([O:42][CH3:43])[c:39]1[O:40][CH3:41].[Cl:44][CH2:45][CH:46]=[C:47]([CH3:48])[CH3:49]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)([CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH:24]([NH:27][c:28]4[n:29]([CH2:45][CH:46]=[C:47]([CH3:48])[CH3:49])[c:30]5[c:31]([n:32]4)[cH:33][cH:34][cH:35][cH:36]5)[CH2:25][CH2:26]3)[CH2:11][CH2:12]2)[cH:37][c:38]([O:42][CH3:43])[c:39]1[O:40][CH3:41]참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-bf4b9754c26a4b368a1b63963037da74
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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