Ethanol → HCID 12784095, compound
Reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([Cl:25])[c:8]2[c:9]([n:10][c:11](-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[n:12][cH:13]2)[n:20]([CH2:23][CH3:24])[c:21]1=[O:22].[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:39][CH2:40][OH:41].[Na+:37].[Na+:38]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([N:30]2[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]2)[c:8]2[c:9]([n:10][c:11](-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[n:12][cH:13]2)[n:20]([CH2:23][CH3:24])[c:21]1=[O:22]Participants
6
Sources & evidence
- ORD record
- ord-6dd00cbac139429a8c8d8f9a48760def
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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