Ethanol → HCID 67039214, compound
Reaction equation
[CH3:1][O:2][C:3]([CH:4]=[CH:5][c:6]1[c:7](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[nH:8][c:9]([CH3:31])[c:10]1[C:11]([C:12]([N:13]1[CH2:14][CH2:15][N:16]([c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[CH2:17][CH2:18]1)=[O:29])=[O:30])=[O:38].[CH3:42][CH2:43][OH:44].[Na+:40].[OH-:39].[OH2:41]>>[O:2]=[C:3]([CH:4]=[CH:5][c:6]1[c:7](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[nH:8][c:9]([CH3:31])[c:10]1[C:11]([C:12]([N:13]1[CH2:14][CH2:15][N:16]([c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[CH2:17][CH2:18]1)=[O:29])=[O:30])[OH:38]Participants
6
Sources & evidence
- ORD record
- ord-91ee74528eac413fbbdcace0e728ad0b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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