Ethanol → HCID 22311102, compound
Reaction equation
[CH3:1][O:2][C:3]([CH:4]([CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH2:14][N:15]([C:16](=[O:17])[NH:18][c:19]2[cH:20][c:21]([C:27]([F:28])([F:29])[F:30])[c:22]([C:25]#[N:26])[cH:23][cH:24]2)[c:31]2[cH:32][cH:33][c:34]([CH:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:35][cH:36]2)[cH:12][cH:13]1)=[O:43])[OH:44])=[O:45].[CH3:48][CH2:49][OH:50].[Na+:47].[OH-:46]>>[O:2]=[C:3]([CH:4]([CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH2:14][N:15]([C:16](=[O:17])[NH:18][c:19]2[cH:20][c:21]([C:27]([F:28])([F:29])[F:30])[c:22]([C:25]#[N:26])[cH:23][cH:24]2)[c:31]2[cH:32][cH:33][c:34]([CH:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:35][cH:36]2)[cH:12][cH:13]1)=[O:43])[OH:44])[OH:45]Participants
5
Sources & evidence
- ORD record
- ord-02358d2d91a44fe08ef2cfe7f41887d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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