Ethanol → HCID 66753495, compound
Reaction equation
[CH3:1][c:2]1[n:3][c:4]2[n:5]([c:6](=[O:18])[c:7]1-[c:8]1[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]1)[cH:19][cH:20][s:21]2.[CH3:39][CH2:40][O-:41].[CH3:42][CH2:43][OH:44].[CH:22]1([CH2:26][O:27][c:28]2[c:29]([CH:30]=[O:31])[cH:32][cH:33][cH:34][c:35]2[O:36][CH3:37])[CH2:23][CH2:24][CH2:25]1.[Na+:38]>>[CH:1]([c:2]1[n:3][c:4]2[n:5]([c:6](=[O:18])[c:7]1-[c:8]1[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]1)[cH:19][cH:20][s:21]2)=[CH:30][c:29]1[c:28]([O:27][CH2:26][CH:22]2[CH2:23][CH2:24][CH2:25]2)[c:35]([O:36][CH3:37])[cH:34][cH:33][cH:32]1Participants
6
Sources & evidence
- ORD record
- ord-fe5e8bb2c6814a84a4df7afd5a7ebde2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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