Acetic Acid → HCID 178457038, compound
Reaction equation
[CH3:38][C:39]([CH3:40])=[O:41].[CH3:42][C:43](=[O:44])[OH:45].[CH:46]([Cl:47])([Cl:48])[Cl:49].[Cl:50][CH2:51][Cl:52].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:28]2[cH:29][cH:30][c:31]([CH2:32][NH2:33])[cH:34][cH:35]2)[c:6]2[c:7]([n:8][c:9]([N:11]3[CH2:12][CH2:13][N:14]([c:17]4[n:18][cH:19][cH:20][cH:21][c:22]4[C:23]([F:24])([F:25])[F:26])[CH2:15][CH2:16]3)[nH:10]2)[cH:27]1)([F:36])[F:37]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:28]2[cH:29][cH:30][c:31]([CH2:32][NH:33][CH:39]([CH3:38])[CH3:40])[cH:34][cH:35]2)[c:6]2[c:7]([n:8][c:9]([N:11]3[CH2:12][CH2:13][N:14]([c:17]4[n:18][cH:19][cH:20][cH:21][c:22]4[C:23]([F:24])([F:25])[F:26])[CH2:15][CH2:16]3)[nH:10]2)[cH:27]1)([F:36])[F:37]Participants
6
Sources & evidence
- ORD record
- ord-3d7fc67876d24272b6a629cc9e7e51fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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