Carbamic acid,[2-amino-5-(methylpropylamino)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester → HCID 86589293, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:23])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH2:15][CH2:16][CH3:17])[CH3:18])[cH:13]1)=[O:24].[C:25]([CH3:27])([CH3:28])([O:29][C:30](=[O:26])[CH2:31][C:32]([c:33]1[cH:34][c:35](-[c:39]2[n:40][cH:41][cH:42][n:43][cH:44]2)[cH:36][cH:37][cH:38]1)=[O:45])[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:23][C:30](=[O:29])[CH2:31][C:32]([c:33]2[cH:34][c:35](-[c:39]3[n:40][cH:41][cH:42][n:43][cH:44]3)[cH:36][cH:37][cH:38]2)=[O:45])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH2:15][CH2:16][CH3:17])[CH3:18])[cH:13]1)=[O:24]Participants
3
Sources & evidence
- ORD record
- ord-e924ef4b1bab4481b153a8568da0db8d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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