Acetic Acid → HCID 44816479, compound
Reaction equation
[C:20]([OH:21])(=[O:22])[C:23]([OH:24])=[O:25].[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:26][NH:27][CH2:28][c:29]1[cH:30][c:31](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[n:32][nH:33]1.[CH3:40][C:41](=[O:42])[OH:43].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH:7]2[CH2:8][CH2:9][CH:10]([CH:13]=[O:14])[CH2:11][CH2:12]2)[cH:15][c:16]([Cl:19])[cH:17][cH:18]1.[Cl:60][CH2:61][Cl:62].[Na+:57].[Na+:59].[OH-:58]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH:7]2[CH2:8][CH2:9][CH:10]([CH2:13][N:27]([CH3:26])[CH2:28][c:29]3[cH:30][c:31](-[c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[n:32][nH:33]3)[CH2:11][CH2:12]2)[cH:15][c:16]([Cl:19])[cH:17][cH:18]1Participants
9
Sources & evidence
- ORD record
- ord-7344ebe19ac14188a462c1d0ebc0d9eb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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