Acetic Acid → 4-{[(5-ethyl-pyridin-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-N-(4-dipropylaminomethyl-phenyl)-benzamide
Reaction equation
[C:33]([BH3-:34])#[N:35].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([CH2:23][NH:24][CH2:25][c:26]3[n:27]([CH3:31])[cH:28][cH:29][n:30]3)[cH:21][cH:22]2)=[O:32])[cH:13][cH:14]1.[CH2:41]([CH3:42])[c:43]1[cH:44][cH:45][c:46]([CH:49]=[O:50])[n:47][cH:48]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:51][OH:52].[Na+:36]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([CH2:23][N:24]([CH2:25][c:26]3[n:27]([CH3:31])[cH:28][cH:29][n:30]3)[CH2:49][c:46]3[cH:45][cH:44][c:43]([CH2:41][CH3:42])[cH:48][n:47]3)[cH:21][cH:22]2)=[O:32])[cH:13][cH:14]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-c1f5fbcd13a84469bf860f9fce7190bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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