Water → HCID 66780611, compound
Reaction equation
[CH3:1][n:2]1[c:3]([CH2:12][NH:13][CH3:14])[c:4]([CH3:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[CH:38]1([N:39]=[C:40]=[N:41][CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[Cl:58][CH2:59][Cl:60].[NH2:15][c:16]1[cH:17][cH:18][c:19]([CH:22]=[CH:23][C:24](=[O:25])[OH:26])[cH:20][n:21]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:37].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[CH3:1][n:2]1[c:3]([CH2:12][N:13]([CH3:14])[C:24]([CH:23]=[CH:22][c:19]2[cH:18][cH:17][c:16]([NH2:15])[n:21][cH:20]2)=[O:26])[c:4]([CH3:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12Participants
8
Sources & evidence
- ORD record
- ord-8bae74a14e8e4cda873c69439e4bc713
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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