Water → HCID 178495263, compound
Reaction equation
[CH3:39][O:40][CH2:41][CH2:42][CH2:43][NH2:44].[CH3:55][CH:56]([OH:57])[CH3:58].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[C:8](=[O:9])[N:10]([CH:11]1[CH2:12][N:13]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:14][CH:15]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[CH2:16]1)[CH2:32][CH:33]([CH3:34])[CH3:35])[cH:36][cH:37][s:38]2.[OH2:54]>>[c:2]1([NH:44][CH2:43][CH2:42][CH2:41][O:40][CH3:39])[c:3]2[c:4]([n:5][cH:6][c:7]1[C:8](=[O:9])[N:10]([CH:11]1[CH2:12][N:13]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:14][CH:15]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[CH2:16]1)[CH2:32][CH:33]([CH3:34])[CH3:35])[cH:36][cH:37][s:38]2Participants
6
Sources & evidence
- ORD record
- ord-0e624677fd554e9b8e0f6bc170b08056
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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