Ethanol → HCID 9954241, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[n:7][c:8]([NH:11][C:12]([CH:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19]2)[c:20]2[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]2)=[O:28])[s:9][cH:10]1)=[O:29].[CH3:32][CH2:33][OH:34].[Na+:31].[OH-:30]>>[O:3]=[C:4]([CH2:5][c:6]1[n:7][c:8]([NH:11][C:12]([CH:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19]2)[c:20]2[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]2)=[O:28])[s:9][cH:10]1)[OH:29]Participants
5
Sources & evidence
- ORD record
- ord-c694e3fee7994cc08d7de0e04b29c2f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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