Ethanol → 4-(2-aminomethyl-1H-benzimidazol-4-yl)carbonylamino-3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[c:10]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[cH:11][c:12]([CH3:15])[cH:13][cH:14]2)[CH3:31])[cH:32][cH:33][c:34]1[NH:35][C:36](=[O:37])[c:38]1[cH:39][cH:40][cH:41][c:42]2[nH:43][c:44]([CH2:47][N:48]3[C:49](=[O:50])[c:51]4[cH:52][cH:53][cH:54][cH:55][c:56]4[C:57]3=[O:58])[n:45][c:46]12.[CH3:62][CH2:63][OH:64].[NH2:60][NH2:61].[OH2:59]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[c:10]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[cH:11][c:12]([CH3:15])[cH:13][cH:14]2)[CH3:31])[cH:32][cH:33][c:34]1[NH:35][C:36](=[O:37])[c:38]1[cH:39][cH:40][cH:41][c:42]2[nH:43][c:44]([CH2:47][NH2:48])[n:45][c:46]12Participants
5
Sources & evidence
- ORD record
- ord-6db8fed405d646f08469168ad2d52ada
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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