Ethanol → HCID 86595423, compound
Reaction equation
[CH2:1]([O:3][C:4](=[O:2])[c:6]1[n:7][n:8](-[c:34]2[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]2)[c:9]2[c:14]1[CH2:13][CH2:12][N:11]([c:15]1[cH:16][cH:17][c:18]([C:21]3([N:24]([CH3:25])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:22][CH2:23]3)[cH:19][cH:20]1)[C:10]2=[O:33])[CH3:5].[CH3:44][CH2:45][OH:46].[Na+:43].[OH-:42]>>[O:3]=[CH:4][c:6]1[n:7][n:8](-[c:34]2[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]2)[c:9]2[c:14]1[CH2:13][CH2:12][N:11]([c:15]1[cH:16][cH:17][c:18]([C:21]3([N:24]([CH3:25])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:22][CH2:23]3)[cH:19][cH:20]1)[C:10]2=[O:33]Participants
5
Sources & evidence
- ORD record
- ord-bcc01c514f52423b956f0d3d6a2a4e0e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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