Water → HCID 22024608, compound
Reaction equation
[C:24]([OH:25])([CH3:26])([CH3:27])[CH3:28].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:23])[c:6](-[c:9]2[c:10]3[n:11]([n:12][cH:13][cH:14]2)[c:15]([C:20]([OH:21])=[O:22])[c:16]([S:18][CH3:19])[n:17]3)[cH:7][cH:8]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[OH2:60].[c:36]1([P:37]([N:38]=[N+:39]=[N-:40])([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)=[O:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:23])[c:6](-[c:9]2[c:10]3[n:11]([n:12][cH:13][cH:14]2)[c:15]([NH2:31])[c:16]([S:18][CH3:19])[n:17]3)[cH:7][cH:8]1Participants
7
Sources & evidence
- ORD record
- ord-c96e3a08b5ae47ccb355d66e4793e31e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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