Water → HCID 68869754, compound
Reaction equation
[CH3:21][S:22]([Cl:23])(=[O:24])=[O:25].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH:1]1([CH2:4][n:5]2[c:6]([CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])[n:7][c:8]3[c:9]2[cH:10][cH:11][c:12]([CH2:14][OH:15])[cH:13]3)[CH2:2][CH2:3]1.[Cl:34][CH2:35][Cl:36].[OH2:33]>>[CH:1]1([CH2:4][n:5]2[c:6]([CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])[n:7][c:8]3[c:9]2[cH:10][cH:11][c:12]([CH2:14][Cl:23])[cH:13]3)[CH2:2][CH2:3]1Participants
6
Sources & evidence
- ORD record
- ord-37d16658f71a4cb6a969563530d10440
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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