Water → HCID 178438990, compound
Reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]2[CH:14]([OH:40])[CH:15]([OH:39])[CH:16]([OH:38])[C:17]3([O:18][CH2:19][c:20]4[cH:21][c:22]([Cl:36])[c:23]([CH2:26][c:27]5[cH:28][cH:29][c:30]([CH:33]([CH3:34])[CH3:35])[cH:31][cH:32]5)[cH:24][c:25]43)[O:37]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:41][N:42]([CH3:43])[Cl:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57]>>[CH2:12]([CH:13]1[CH:14]([OH:40])[CH:15]([OH:39])[CH:16]([OH:38])[C:17]2([O:18][CH2:19][c:20]3[cH:21][c:22]([Cl:36])[c:23]([CH2:26][c:27]4[cH:28][cH:29][c:30]([CH:33]([CH3:34])[CH3:35])[cH:31][cH:32]4)[cH:24][c:25]32)[O:37]1)[N:42]([CH3:41])[CH3:43]Participants
6
Sources & evidence
- ORD record
- ord-82260d9550b640b0b9004ed401a617e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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