Hydrochloric Acid → 1-[2-(Methyl{6-[(6-{methyl[3-(methylamino)propyl]carbamoyl}-1,3-benzothiazol-2-yl)amino]hexanoyl}amino)ethyl]piperidin-4-yl biphenyl-2-ylcarbamate
Reaction equation
[CH3:60][OH:61].[ClH:62].[c:1]1(-[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:2]([NH:7][C:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][N:18]([CH3:19])[C:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:26][c:27]3[s:28][c:29]4[c:30]([n:31]3)[cH:32][cH:33][c:34]([C:36]([N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])=[O:51])[cH:35]4)=[O:52])[CH2:14][CH2:15]2)=[O:53])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:2]([NH:7][C:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][N:18]([CH3:19])[C:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:26][c:27]3[s:28][c:29]4[c:30]([n:31]3)[cH:32][cH:33][c:34]([C:36]([N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][NH:42][CH3:43])=[O:51])[cH:35]4)=[O:52])[CH2:14][CH2:15]2)=[O:53])[cH:3][cH:4][cH:5][cH:6]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-1c0154f23afb4ebf86338d9e2075bc9c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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