Ethanol → HCID 178456272, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[C:6]1[CH2:7][CH2:8][N:9]([C:12]([c:13]2[cH:14][c:15]([CH:19]([c:20]3[cH:21][c:22]([OH:26])[cH:23][cH:24][cH:25]3)[N:27]3[CH:28]([CH3:37])[CH2:29][N:30]([CH2:34][CH:35]=[CH2:36])[CH:31]([CH3:33])[CH2:32]3)[cH:16][cH:17][cH:18]2)=[O:38])[CH2:10][CH2:11]1)=[O:39].[CH3:40][CH2:41][OH:42].[Na+:44].[OH-:43].[OH2:50].[S:45](=[O:46])(=[O:47])([OH:48])[OH:49]>>[O:3]=[C:4]([CH:5]=[C:6]1[CH2:7][CH2:8][N:9]([C:12]([c:13]2[cH:14][c:15]([CH:19]([c:20]3[cH:21][c:22]([OH:26])[cH:23][cH:24][cH:25]3)[N:27]3[CH:28]([CH3:37])[CH2:29][N:30]([CH2:34][CH:35]=[CH2:36])[CH:31]([CH3:33])[CH2:32]3)[cH:16][cH:17][cH:18]2)=[O:38])[CH2:10][CH2:11]1)[OH:39]Participants
7
Sources & evidence
- ORD record
- ord-94042d6616c0496db4345003d814876e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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