Trifluoroacetic acid → 2-[1-(2-Hydroxy-ethyl)-5-trifluoromethyl-1H-indazol-3-ylamino]-N-[1-(4-methoxymethyl-cyclohexyl)-azetidin-3-yl]-acetamide

반응식

[CH3:33][O:34][CH2:35][CH:36]1[CH2:37][CH2:38][C:39](=[O:42])[CH2:40][CH2:41]1.[F:26][C:27]([F:28])([F:29])[C:30]([OH:31])=[O:32].[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH2:22][CH2:23][OH:24])[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]23)=[O:25])[CH2:4]1>>[N:1]1([CH:39]2[CH2:38][CH2:37][CH:36]([CH2:35][O:34][CH3:33])[CH2:41][CH2:40]2)[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH2:22][CH2:23][OH:24])[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]23)=[O:25])[CH2:4]1

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 578290164-(Methoxymethyl)cyclohexan-1-one

HCID 58548860HCID 58548860, 화합물

생성물 1

HCID 547558032-[1-(2-Hydroxy-ethyl)-5-trifluoromethyl-1H-indazol-3-ylamino]-N-[1-(4-methoxymethyl-cyclohexyl)-azetidin-3-yl]-acetamide

출처 및 근거

ORD 기록: ord-3474a34622724915899bd5371a11aa73
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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