Hydrochloric Acid → 1-(2-{Methyl[N-(4-{methyl[3-(methylamino)propyl]carbamoyl}phenyl)-beta-alanyl]amino}ethyl)piperidin-4-yl biphenyl-2-ylcarbamate
Reaction equation
[CH3:61][CH2:62][OH:63].[ClH:60].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[c:1]1(-[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]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][NH:23][c:24]3[cH:25][cH:26][c:27]([C:30]([N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])=[O:45])[cH:28][cH:29]3)=[O:46])[CH2:14][CH2:15]2)=[O:47])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]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][NH:23][c:24]3[cH:25][cH:26][c:27]([C:30]([N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][NH:36][CH3:37])=[O:45])[cH:28][cH:29]3)=[O:46])[CH2:14][CH2:15]2)=[O:47])[cH:3][cH:4][cH:5][cH:6]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-ae0295ac86a84417928d1b19e9db472c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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