Ethanol → HCID 21467148, compound
Reaction equation
[CH3:23][CH2:24][O:25][C:26](=[O:27])[CH3:28].[CH3:29][CH2:30][OH:31].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[c:7]3[c:8]([s:13][cH:14][cH:15]3)[CH:9]=[CH:10][CH2:11][CH2:12]2)[cH:16][cH:17][c:18]([N+:20]([O-:21])=[O:22])[cH:19]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[c:7]3[c:8]([s:13][cH:14][cH:15]3)[CH:9]=[CH:10][CH2:11][CH2:12]2)[cH:16][cH:17][c:18]([NH2:20])[cH:19]1Participants
4
Sources & evidence
- ORD record
- ord-91d197226ef6484cb1a2fb4af0ac1699
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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