Water → HCID 91375718, compound
Reaction equation
[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[Cl:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[N:19]2[CH2:20][CH:21]([NH:24][c:25]3[s:26][cH:27][c:28]([CH:30]=[CH:31][C:32](=[O:33])[OH:34])[n:29]3)[CH2:22][CH2:23]2)[cH:35][cH:36]1.[O:37]1[CH:38]([O:43][NH2:44])[CH2:39][CH2:40][CH2:41][CH2:42]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[Cl:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[N:19]2[CH2:20][CH:21]([NH:24][c:25]3[s:26][cH:27][c:28]([CH:30]=[CH:31][C:32](=[O:33])[NH:44][O:43][CH:38]4[O:37][CH2:42][CH2:41][CH2:40][CH2:39]4)[n:29]3)[CH2:22][CH2:23]2)[cH:35][cH:36]1Participants
8
Sources & evidence
- ORD record
- ord-55fd6b06a0d64078b9b1ef7bcddf7a40
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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