Ethanol → HCID 19818639, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:32])[c:6]([CH2:26][CH2:27][C:28]([F:29])([F:30])[F:31])[c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[c:14]([C:15]#[N:16])[c:17]([N+:21]([O-:22])=[O:23])[cH:18][cH:19][cH:20]2)[cH:24][cH:25]1.[CH2:33]1[CH2:34][CH:35]=[CH:36][CH2:37][CH2:38]1.[CH3:39][CH2:40][OH:41]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:32])[c:6]([CH2:26][CH2:27][C:28]([F:29])([F:30])[F:31])[c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[c:14]([C:15]#[N:16])[c:17]([NH2:21])[cH:18][cH:19][cH:20]2)[cH:24][cH:25]1Participants
4
Sources & evidence
- ORD record
- ord-5b438c6bd4174d2aa6ecb224a330c321
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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