Acetic Acid → HCID 136374699, compound
Reaction equation
[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH3:43][C:44](=[O:45])[OH:46].[Cl:61][CH2:62][Cl:63].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([c:22]3[cH:23][cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29]3)[NH:10][c:11]3[c:12]4[c:13]2[n:14][nH:15][c:16](=[O:21])[c:17]4[cH:18][cH:19][cH:20]3)[cH:6][cH:7]1.[N:30]1([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[Na+:60]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([c:22]3[cH:23][cH:24][c:25]([CH2:26][N:33]4[CH2:32][CH2:31][N:30]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:35][CH2:34]4)[cH:28][cH:29]3)[NH:10][c:11]3[c:12]4[c:13]2[n:14][nH:15][c:16](=[O:21])[c:17]4[cH:18][cH:19][cH:20]3)[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-f5845536c83b414fa9413b5833efefd4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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