1,4-Difluoro-2-isocyanatobenzene → N-(1-benzylpyrrolidin-3-yl)-2-[(2,5-difluorophenyl)carbamoylamino]-3,3-dimethylbutanamide

반응식

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

참가 물질

반응물 2

HCID 27332661,4-Difluoro-2-isocyanatobenzene

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

생성물 1

HCID 21938689N-(1-benzylpyrrolidin-3-yl)-2-[(2,5-difluorophenyl)carbamoylamino]-3,3-dimethylbutanamide

출처 및 근거

ORD 기록: ord-351526ea464d48968726a79e3bfebfb6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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