Acetic Acid → HCID 178462979, compound
Reaction equation
[BrH:1].[C:37]([OH:38])(=[O:39])[CH3:40].[Cl:2][c:3]1[cH:4][c:5](-[c:9]2[n:10][c:11]([CH:14]([CH3:15])[S:16][c:17]3[n:18]([CH2:30][CH3:31])[c:19](-[c:22]4[cH:23][c:24]([O:28][CH3:29])[n:25][cH:26][cH:27]4)[n:20][n:21]3)[n:12][o:13]2)[cH:6][cH:7][cH:8]1.[Na+:36].[O-:32][C:33]([OH:34])=[O:35]>>[Cl:2][c:3]1[cH:4][c:5](-[c:9]2[n:10][c:11]([CH:14]([CH3:15])[S:16][c:17]3[n:18]([CH2:30][CH3:31])[c:19](-[c:22]4[cH:23][c:24]([OH:28])[n:25][cH:26][cH:27]4)[n:20][n:21]3)[n:12][o:13]2)[cH:6][cH:7][cH:8]1Participants
6
Sources & evidence
- ORD record
- ord-53e9edaf0cfd47f39b9f018185668cab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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