Ethanol → HCID 75057591, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:8][NH:9][CH:10]2[CH2:11][S:12](=[O:37])[CH2:13][CH:14]([CH2:17][c:18]3[cH:19][c:20]([F:36])[c:21]([N+:33]([O-:34])=[O:35])[c:22]([O:24][CH:25]([C:26]([F:27])([F:28])[F:29])[CH2:30][O:31][CH3:32])[cH:23]3)[CH:15]2[OH:16])[cH:38][cH:39][cH:40]1.[CH3:41][CH2:42][OH:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:8][NH:9][CH:10]2[CH2:11][S:12](=[O:37])[CH2:13][CH:14]([CH2:17][c:18]3[cH:19][c:20]([F:36])[c:21]([NH2:33])[c:22]([O:24][CH:25]([C:26]([F:27])([F:28])[F:29])[CH2:30][O:31][CH3:32])[cH:23]3)[CH:15]2[OH:16])[cH:38][cH:39][cH:40]1Participants
3
Sources & evidence
- ORD record
- ord-234effe60165491d90abf0a1720ffdff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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