Ethanol → HCID 53628661, compound
Reaction equation
[CH3:37][CH2:38][OH:39].[CH:24]([CH3:25])([CH3:26])[c:27]1[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[Cl:36])[cH:31][cH:32]1.[Cl:40][CH2:41][Cl:42].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][N:12]([C:14]([CH2:15][CH3:16])=[O:17])[CH2:13]2)[n:8][cH:9]1.[cH:18]1[cH:19][cH:20][n:21][cH:22][cH:23]1>>[NH:1]([c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][N:12]([C:14]([CH2:15][CH3:16])=[O:17])[CH2:13]2)[n:8][cH:9]1)[S:33]([c:30]1[cH:29][cH:28][c:27]([CH:24]([CH3:25])[CH3:26])[cH:32][cH:31]1)(=[O:34])=[O:35]Participants
6
Sources & evidence
- ORD record
- ord-711868790dcb47ecb4f3fe55424ceb6d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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