Ethanol → HCID 68702166, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][NH:7][c:8]1[c:9]([C:15]([N:16]([CH2:17][CH2:18][c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[CH2:29][c:30]2[cH:31][cH:32][c:33]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:34][cH:35]2)=[O:40])[cH:10][c:11]([Cl:14])[cH:12][cH:13]1)=[O:41].[CH3:42][CH2:43][OH:44]>>[O:3]=[C:4]([CH2:5][CH2:6][NH:7][c:8]1[c:9]([C:15]([N:16]([CH2:17][CH2:18][c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[CH2:29][c:30]2[cH:31][cH:32][c:33]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:34][cH:35]2)=[O:40])[cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[OH:41]Participants
3
Sources & evidence
- ORD record
- ord-d3bdc265fb43409faadb8f0bed856343
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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