3-(Trifluoromethyl)phenyl isocyanate → N-(1-benzylpyrrolidin-3-yl)-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanamide

반응식

[F:1][C:2]([c:3]1[cH:4][c:5]([N:9]=[C:10]=[O:11])[cH:6][cH:7][cH:8]1)([F:12])[F:13].[NH2:14][CH:15]([C:16](=[O:17])[NH:18][CH:19]1[CH2:20][N:21]([CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:22][CH2:23]1)[C:31]([CH3:32])([CH3:33])[CH3:34]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[NH:14][CH:15]([C:16](=[O:17])[NH:18][CH:19]2[CH2:20][N:21]([CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:22][CH2:23]2)[C:31]([CH3:32])([CH3:33])[CH3:34])[cH:6][cH:7][cH:8]1)([F:12])[F:13]

참가 물질

반응물 2

HCID 94833-(Trifluoromethyl)phenyl isocyanate

HCID 219386822-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide

생성물 1

HCID 178446656N-(1-benzylpyrrolidin-3-yl)-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanamide

출처 및 근거

ORD 기록: ord-526e56983ffc401884b18690f8dc9be3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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