Water → HCID 178505209, compound
Reaction equation
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][S:43]([Cl:44])(=[O:45])=[O:46].[Cl:47][CH2:48][Cl:49].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:50].[OH:1][CH:2]1[CH2:3][CH:4]([C:20](=[O:21])[c:22]2[n:23][cH:24][n:25]3[c:26]2[s:27][cH:28][cH:29]3)[N:5]([C:7](=[O:8])[O:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[CH2:6]1>>[O:1]([CH:2]1[CH2:3][CH:4]([C:20](=[O:21])[c:22]2[n:23][cH:24][n:25]3[c:26]2[s:27][cH:28][cH:29]3)[N:5]([C:7](=[O:8])[O:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[CH2:6]1)[S:43]([CH3:42])(=[O:45])=[O:46]Participants
7
Sources & evidence
- ORD record
- ord-bb7637dcd7b541749bd2984cdb1ba1d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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