Ethanol → HCID 66753641, 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.[CH3:38][CH2:39][O-:40].[CH3:41][CH2:42][OH:43].[CH:22]1([CH2:25][O:26][c:27]2[cH:28][c:29]([CH:30]=[O:31])[cH:32][cH:33][c:34]2[O:35][CH3:36])[CH2:23][CH2:24]1.[Na+:37]>>[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[cH:28][c:27]([O:26][CH2:25][CH:22]2[CH2:23][CH2:24]2)[c:34]([O:35][CH3:36])[cH:33][cH:32]1Participants
6
Sources & evidence
- ORD record
- ord-e12a3a3ac62343c99a72ec0013076c01
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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