Acetic Acid → HCID 58102794, compound
Reaction equation
[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH3:54][C:55](=[O:56])[OH:57].[Cl:45][CH2:46][Cl:47].[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([NH:20][c:21]3[cH:22][n:23][cH:24][cH:25][cH:26]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[n:13]1)[cH:27][cH:28][cH:29][c:30]2[O:31][CH3:32])[F:33].[H-:35].[I:36][CH3:37].[NH3:38].[Na+:34].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]([c:21]3[cH:22][n:23][cH:24][cH:25][cH:26]3)[CH3:37])[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[n:13]1)[cH:27][cH:28][cH:29][c:30]2[O:31][CH3:32])[F:33]Participants
11
Sources & evidence
- ORD record
- ord-1a06008c7cab4b6386ba67d3194c05a6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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