Trifluoroacetic acid → N-(azetidin-3-ylcarbamoylmethyl)-2,5-bis-trifluoromethyl-benzamide

반응식

[C:8]([O:9][C:10](=[O:11])[N:15]1[CH2:16][CH:17]([NH:19][C:20]([CH2:21][NH:22][C:23]([c:24]2[c:25]([C:34]([F:35])([F:36])[F:37])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)=[O:38])=[O:39])[CH2:18]1)([CH3:12])([CH3:13])[CH3:14].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[NH:15]1[CH2:16][CH:17]([NH:19][C:20]([CH2:21][NH:22][C:23]([c:24]2[c:25]([C:34]([F:35])([F:36])[F:37])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)=[O:38])=[O:39])[CH2:18]1

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 593616073-[2-(2,5-Bis-trifluoromethyl-benzoylamino)-acetylamino]-azetidine-1-carboxylic acid tert-butylester

생성물 1

HCID 59361598N-(azetidin-3-ylcarbamoylmethyl)-2,5-bis-trifluoromethyl-benzamide

출처 및 근거

ORD 기록: ord-287f7b12c1cd45c7ac3c7a72f8772417
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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