Acetic Acid → HCID 22396257, compound
Reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:48][C:49](=[O:50])[OH:51].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH2:7][CH2:8][C:9](=[O:12])[CH2:10][CH2:11]2)[cH:13][cH:14][c:15]1[Cl:16].[Cl:52][CH2:53][Cl:54].[F:17][C:18]([O:19][c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[NH:28][NH2:29])[cH:30][cH:31]1)([F:32])[F:33].[Na+:47]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH2:7][CH2:8][CH:9]([NH:29][NH:28][C:26]([CH2:25][O:24][c:23]3[cH:22][cH:21][c:20]([O:19][C:18]([F:17])([F:32])[F:33])[cH:31][cH:30]3)=[O:27])[CH2:10][CH2:11]2)[cH:13][cH:14][c:15]1[Cl:16]Participants
7
Sources & evidence
- ORD record
- ord-7a73c11c80194a04bf276a2f929ee64e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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