Ethanol → HCID 53658354, compound
Reaction equation
[CH2:17]([N:18]([CH2:19][CH3:20])[CH2:21][CH3:22])[CH3:23].[CH3:32][CH2:33][OH:34].[Cl:1][C:2]([C:3]([CH3:4])=[O:5])=[N:6][NH:7][c:8]1[cH:9][c:10]([N+:14](=[O:15])[O-:16])[cH:11][cH:12][cH:13]1.[Cl:24][c:25]1[cH:26][cH:27][c:28]([SH:31])[cH:29][cH:30]1>>[C:2]([C:3]([CH3:4])=[O:5])(=[N:6][NH:7][c:8]1[cH:9][c:10]([N+:14](=[O:15])[O-:16])[cH:11][cH:12][cH:13]1)[S:31][c:28]1[cH:27][cH:26][c:25]([Cl:24])[cH:30][cH:29]1Participants
5
Sources & evidence
- ORD record
- ord-4b2c41077b41403aaab253162950ed8e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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