Acetic Acid → HCID 20378262, compound
Reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[Cl:25][C:26](=[O:27])[O:28][CH2:29][CH3:30].[OH2:31].[c:1]1(-[c:7]2[n:8][c:9]([S:18][C:19]([CH:20]([F:21])[F:22])([F:23])[F:24])[nH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[c:1]1(-[c:7]2[n:8]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:9]([S:18][C:19]([CH:20]([F:21])[F:22])([F:23])[F:24])[n:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-06f7503ba572465f9ba3e8dfde7ab889
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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