2-(Trifluoromethyl)benzoyl chloride → HCID 67172005, compound
Reaction equation
[CH3:1][CH:2]([CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[n:9][n:10][c:11]([N:14]2[CH2:15][CH2:16][CH:17]([NH2:20])[CH2:18][CH2:19]2)[cH:12][cH:13]1)[CH3:21].[CH:22]1([CH2:23][CH2:24][NH:25][C:26]([c:27]2[n:28][n:29][c:30]([N:31]3[CH2:32][CH:33]4[CH:34]([CH:35]4[NH2:36])[CH2:37]3)[cH:38][cH:39]2)=[O:40])[CH2:41][CH2:42]1.[F:43][C:44]([c:45]1[c:46]([C:47](=[O:48])[Cl:49])[cH:50][cH:51][cH:52][cH:53]1)([F:54])[F:55]>>[CH3:1][CH:2]([CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[n:9][n:10][c:11]([N:14]2[CH2:15][CH2:16][CH:17]([NH:20][C:47]([c:46]3[c:45]([C:44]([F:43])([F:54])[F:55])[cH:53][cH:52][cH:51][cH:50]3)=[O:48])[CH2:18][CH2:19]2)[cH:12][cH:13]1)[CH3:21]Participants
4
Sources & evidence
- ORD record
- ord-18ef575dbe1f45f888430072b8a388fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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