Acetic Acid → HCID 178504639, compound
Reaction equation
[CH3:56][C:57](=[O:58])[OH:59].[Cl:12][c:13]1[cH:14][c:15]2[c:16]([nH:17][c:18]([CH:20]([CH2:21][CH2:22][S:23][CH3:24])[NH:25][C:26]([c:27]3[cH:28][c:29]([Cl:49])[c:30]([C:33](=[O:34])[N:35]4[CH:36]([CH2:40][NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:37][CH2:38][CH2:39]4)[cH:31][cH:32]3)=[O:50])[n:19]2)[cH:51][cH:52]1.[Cl:53][CH2:54][Cl:55].[OH:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:7])[cH:8][cH:9][cH:10]1)=[O:11]>>[O:1]=[S:23]([CH2:22][CH2:21][CH:20]([c:18]1[nH:17][c:16]2[c:15]([cH:14][c:13]([Cl:12])[cH:52][cH:51]2)[n:19]1)[NH:25][C:26]([c:27]1[cH:28][c:29]([Cl:49])[c:30]([C:33](=[O:34])[N:35]2[CH:36]([CH2:40][NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:37][CH2:38][CH2:39]2)[cH:31][cH:32]1)=[O:50])[CH3:24]Participants
5
Sources & evidence
- ORD record
- ord-ca5080b504c042a78334010174ec4c4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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