Ethanol → HCID 21092424, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([CH3:7])[c:8]1[cH:9][c:10]2[c:15]([cH:16][cH:17]1)[CH:14]([C:18]([CH2:19][c:20]1[cH:21][c:22]3[c:23]([n:24][c:25]([NH:27][c:28]4[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]4)[o:26]3)[c:35]([CH3:37])[cH:36]1)=[O:38])[NH:13][CH2:12][CH2:11]2)=[O:39].[CH3:42][CH2:43][OH:44].[Na+:41].[OH-:40]>>[O:3]=[C:4]([CH2:5][CH:6]([CH3:7])[c:8]1[cH:9][c:10]2[c:15]([cH:16][cH:17]1)[CH:14]([C:18]([CH2:19][c:20]1[cH:21][c:22]3[c:23]([n:24][c:25]([NH:27][c:28]4[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]4)[o:26]3)[c:35]([CH3:37])[cH:36]1)=[O:38])[NH:13][CH2:12][CH2:11]2)[OH:39]Participants
5
Sources & evidence
- ORD record
- ord-e8af92930b5f410383afc4b7f1aea435
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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