Acetic Acid → HCID 21948799, compound
Reaction equation
[C:38]([O:39][CH2:40][CH3:41])(=[O:42])[CH3:43].[CH3:34][C:35](=[O:36])[OH:37].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[F:13][c:14]1[cH:15][cH:16][c:17]([O:32][CH3:33])[c:18]([C:20]2([CH2:23][C:24]([CH:25]=[O:26])([C:27]([F:28])([F:29])[F:30])[OH:31])[CH2:21][CH2:22]2)[cH:19]1.[NH2:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[cH:9][cH:10][cH:11]1>>[N:1]([c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[cH:9][cH:10][cH:11]1)=[CH:25][C:24]([CH2:23][C:20]1([c:18]2[c:17]([O:32][CH3:33])[cH:16][cH:15][c:14]([F:13])[cH:19]2)[CH2:21][CH2:22]1)([C:27]([F:28])([F:29])[F:30])[OH:31]Participants
7
Sources & evidence
- ORD record
- ord-3cb9c01381dc4c5595846c0d0bfb0cbc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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