Carbamic acid,n-[2-amino-5-(dimethylamino)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester → HCID 86586851, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:21])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:22].[C:23]([CH3:25])([CH3:26])([O:27][C:28](=[O:24])[CH2:29][C:30]([c:31]1[cH:32][c:33](-[n:37]2[n:38][cH:39][c:40]([CH2:42][O:43][CH:44]3[O:45][CH2:46][CH2:47][CH2:48][CH2:49]3)[cH:41]2)[cH:34][cH:35][cH:36]1)=[O:50])[CH3:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:21][C:28](=[O:27])[CH2:29][C:30]([c:31]2[cH:32][c:33](-[n:37]3[n:38][cH:39][c:40]([CH2:42][O:43][CH:44]4[O:45][CH2:46][CH2:47][CH2:48][CH2:49]4)[cH:41]3)[cH:34][cH:35][cH:36]2)=[O:50])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:22]Participants
3
Sources & evidence
- ORD record
- ord-6d9e55b2d35545bfa34ac1bf621c60f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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