Ethanol → HCID 69655922, compound
Reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][CH2:13][C: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)[CH2:29][CH3:30])[cH:10][cH:11]1)[NH:31][c:32]1[c:33]([C:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[O:45])[cH:34][cH:35][cH:36][cH:37]1)=[O:46].[CH3:49][CH2:50][OH:51].[Na+:48].[OH-:47]>>[O:2]=[C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][CH2:13][C: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)[CH2:29][CH3:30])[cH:10][cH:11]1)[NH:31][c:32]1[c:33]([C:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[O:45])[cH:34][cH:35][cH:36][cH:37]1)[OH:46]Participants
6
Sources & evidence
- ORD record
- ord-d9d41ada40c74bdb826e7b3dba9b17db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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