2,2-Difluoroethanamine → N-{2-[(2,2-Difluoroethyl)amino]-2-oxo-1-[4-(trifluoromethoxy)benzyl]ethyl}-4-(3,3,3-trifluoropropoxy)benzamide

HRID 1235065

반응식

HRID 1235065 반응식
[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH:11]([C:12](=[O:13])[OH:14])[NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([O:23][CH2:24][CH2:25][C:26]([F:27])([F:28])[F:29])[cH:21][cH:22]2)=[O:30])[cH:8][cH:9]1)([F:31])[F:32].[F:33][CH:34]([CH2:35][NH2:36])[F:37]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH:11]([C:12](=[O:14])[NH:36][CH2:35][CH:34]([F:33])[F:37])[NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([O:23][CH2:24][CH2:25][C:26]([F:27])([F:28])[F:29])[cH:21][cH:22]2)=[O:30])[cH:8][cH:9]1)([F:31])[F:32]

참가 물질

3

반응물 2

HCID 1362742,2-DifluoroethanamineHCID 780686233-[4-(Trifluoromethoxy)phenyl]-2-{[4-(3,3,3-trifluoropropoxy)benzoyl]amino}propanoic acid

생성물 1

HCID 57972095N-{2-[(2,2-Difluoroethyl)amino]-2-oxo-1-[4-(trifluoromethoxy)benzyl]ethyl}-4-(3,3,3-trifluoropropoxy)benzamide

출처 및 근거

ORD 기록
ord-411878213bbd4eeea23fb2c3bc89a69f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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