Ethanol → HCID 69656875, compound
Reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][CH2:13][CH:14]=[CH:15][c:16]2[cH:17][c:18]3[c:26]([cH:27][cH:28]2)-[c:25]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[CH2:19]3)[cH:10][cH:11]1)[NH:29][c:30]1[c:31]([C:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:43])[cH:32][cH:33][cH:34][cH:35]1)=[O:44].[CH3:47][CH2:48][OH:49].[Na+:46].[OH-:45]>>[O:2]=[C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][CH2:13][CH:14]=[CH:15][c:16]2[cH:17][c:18]3[c:26]([cH:27][cH:28]2)-[c:25]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[CH2:19]3)[cH:10][cH:11]1)[NH:29][c:30]1[c:31]([C:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:43])[cH:32][cH:33][cH:34][cH:35]1)[OH:44]Participants
6
Sources & evidence
- ORD record
- ord-fa190e3e29bc44c1a67554f7fd651312
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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