Acetic Acid → HCID 178503281, compound
Reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][C:42]([CH3:43])=[O:44].[Cl:59][CH:60]([Cl:61])[CH3:62].[NH2:1][CH:2]1[CH2:3][CH:4]([CH2:25][S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([S:35][CH3:36])[cH:33][cH:34]2)[CH:5]([N:8]2[C:9](=[O:24])[CH:10]=[C:11]([c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[CH2:12][CH2:13]2)[CH2:6][CH2:7]1.[Na+:58]>>[NH:1]([CH:2]1[CH2:3][CH:4]([CH2:25][S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([S:35][CH3:36])[cH:33][cH:34]2)[CH:5]([N:8]2[C:9](=[O:24])[CH:10]=[C:11]([c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[CH2:12][CH2:13]2)[CH2:6][CH2:7]1)[CH:42]([CH3:41])[CH3:43]Participants
7
Sources & evidence
- ORD record
- ord-34cca311f714428e831d08335d029fba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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