Hydrochloric Acid → 5-[(diisobutylamino)methyl]-1-(3-{methyl[2-(2-pyridinyl)ethyl]amino}propyl)-N-(3,4,5-trimethoxyphenyl)-1H-benzimidazol-2-amine
반응식
[Al+3:2].[CH2:8]([CH:9]([CH3:10])[CH3:11])[N:12]([C:13](=[O:14])[c:15]1[cH:16][c:17]2[c:18]([n:19]([CH2:35][CH2:36][CH2:37][N:38]([CH2:39][CH2:40][c:41]3[n:42][cH:43][cH:44][cH:45][cH:46]3)[CH3:47])[c:20]([NH:22][c:23]3[cH:24][c:25]([O:33][CH3:34])[c:26]([O:31][CH3:32])[c:27]([O:29][CH3:30])[cH:28]3)[n:21]2)[cH:48][cH:49]1)[CH2:50][CH:51]([CH3:52])[CH3:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[ClH:7].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[CH2:8]([CH:9]([CH3:10])[CH3:11])[N:12]([CH2:13][c:15]1[cH:16][c:17]2[c:18]([n:19]([CH2:35][CH2:36][CH2:37][N:38]([CH2:39][CH2:40][c:41]3[n:42][cH:43][cH:44][cH:45][cH:46]3)[CH3:47])[c:20]([NH:22][c:23]3[cH:24][c:25]([O:33][CH3:34])[c:26]([O:31][CH3:32])[c:27]([O:29][CH3:30])[cH:28]3)[n:21]2)[cH:48][cH:49]1)[CH2:50][CH:51]([CH3:52])[CH3:53]참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-574650a00996483f9d9f4ddd0da20f4e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
불러오는 중…