Dichloromethane → 1-Chloro-isoquinoline-5-sulfonic acid (2-{[3-(2-benzyl-4-chloro-phenoxy)-propyl]-[bis-(4-methoxy-phenyl)-methyl]-amino}-ethyl)-amide
Reaction equation
[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[c:24]([O:25][CH2:26][CH2:27][CH2:28][N:29]([CH2:30][CH2:31][NH2:32])[CH:33]([c:34]2[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]2)[c:42]2[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]2)[cH:50][cH:51][c:52]([Cl:54])[cH:53]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[c:7]([S:12](=[O:13])(=[O:14])[Cl:15])[cH:8][cH:9][cH:10][c:11]12.[Cl:55][CH2:56][Cl:57]>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[c:7]([S:12](=[O:13])(=[O:14])[NH:32][CH2:31][CH2:30][N:29]([CH2:28][CH2:27][CH2:26][O:25][c:24]3[c:23]([CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[cH:53][c:52]([Cl:54])[cH:51][cH:50]3)[CH:33]([c:34]3[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]3)[c:42]3[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]3)[cH:8][cH:9][cH:10][c:11]12Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-e07c1a2485854d819c7c49d00cc50ffb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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