Acetic Acid → HCID 23553474, compound
Reaction equation
[C:52]([BH3-:53])#[N:54].[CH3:48][C:49](=[O:50])[OH:51].[F:17][c:18]1[c:19]([CH2:20][N:21]([C:22](=[O:23])[NH:24][c:25]2[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[N:34]3[CH2:35][CH2:36][CH:37]([CH:40]=[O:41])[CH2:38][CH2:39]3)[cH:29][cH:30]2)[CH3:42])[cH:43][c:44]([F:47])[cH:45][cH:46]1.[NH2:1][CH2:2][CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:16])[c:9]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:10]1.[Na+:55]>>[NH:1]([CH2:2][CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:16])[c:9]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:10]1)[CH2:40][CH:37]1[CH2:36][CH2:35][N:34]([S:31]([c:28]2[cH:27][cH:26][c:25]([NH:24][C:22]([N:21]([CH2:20][c:19]3[c:18]([F:17])[cH:46][cH:45][c:44]([F:47])[cH:43]3)[CH3:42])=[O:23])[cH:30][cH:29]2)(=[O:32])=[O:33])[CH2:39][CH2:38]1Participants
6
Sources & evidence
- ORD record
- ord-1d04cdc20ca84886a016ec2ad8def393
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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