Ethanol → HCID 22311071, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][NH:7][C:8]([c:9]1[cH:10][cH:11][c:12]([CH:15]([c:16]2[cH:17][cH:18][c:19]([CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:20][cH:21]2)[NH:28][C:29](=[O:30])[NH:31][c:32]2[cH:33][c:34]([O:42][CH3:43])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]2)[cH:13][cH:14]1)=[O:44])[OH:45])=[O:46].[CH3:49][CH2:50][OH:51].[Na+:48].[OH-:47]>>[O:3]=[C:4]([CH:5]([CH2:6][NH:7][C:8]([c:9]1[cH:10][cH:11][c:12]([CH:15]([c:16]2[cH:17][cH:18][c:19]([CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:20][cH:21]2)[NH:28][C:29](=[O:30])[NH:31][c:32]2[cH:33][c:34]([O:42][CH3:43])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]2)[cH:13][cH:14]1)=[O:44])[OH:45])[OH:46]Participants
5
Sources & evidence
- ORD record
- ord-6812eaee5c9e48fabc63271f9c8b489e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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