Acetic Acid → HCID 21963909, compound
Reaction equation
[CH3:30][C:31]([OH:32])=[O:33].[CH3:34][N:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][n:41]1)[CH3:42].[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]2([c:22]3[c:23]([F:29])[cH:24][cH:25][c:26]([F:28])[cH:27]3)[CH2:12][CH2:13][CH:14]([CH2:17][S:18](=[O:19])(=[O:20])[NH2:21])[CH2:15][CH2:16]2)[cH:6][cH:7]1.[Cl:55][CH2:56][Cl:57].[ClH:43]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]2([c:22]3[c:23]([F:29])[cH:24][cH:25][c:26]([F:28])[cH:27]3)[CH2:12][CH2:13][CH:14]([CH2:17][S:18](=[O:19])(=[O:20])[NH:21][C:31]([CH3:30])=[O:32])[CH2:15][CH2:16]2)[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-37c64691dc5344d899857caccc0e3fa1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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