Ethanol → HCID 178436100, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]([NH:12][C:13]([CH2:14][N:15]([c:16]1[c:17]([CH2:18][CH3:19])[cH:20][cH:21][cH:22][cH:23]1)[C:24]([CH2:25][CH2:26][CH2:27][c:28]1[c:29]([NH2:41])[c:30]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[n:31][cH:32][cH:33]1)=[O:42])=[O:43])[CH3:44])=[O:45].[CH3:54][CH2:55][OH:56].[K+:53].[Na+:47].[OH-:46].[S:48](=[O:49])(=[O:50])([OH:51])[O-:52]>>[O:8]=[C:9]([CH2:10][CH:11]([NH:12][C:13]([CH2:14][N:15]([c:16]1[c:17]([CH2:18][CH3:19])[cH:20][cH:21][cH:22][cH:23]1)[C:24]([CH2:25][CH2:26][CH2:27][c:28]1[c:29]([NH2:41])[c:30]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[n:31][cH:32][cH:33]1)=[O:42])=[O:43])[CH3:44])[OH:45]Participants
7
Sources & evidence
- ORD record
- ord-8ca2242c779e4840aed95036d6ca2a93
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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