Trifluoroacetic acid → HCID 54755562, 화합물

반응식

[CH2:35]([CH3:36])[O:37][C:38](=[O:39])[CH:40]1[CH2:41][CH2:42][C:43](=[O:46])[CH2:44][CH2:45]1.[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH2:22][C:23]([F:24])([F:25])[F:26])[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]23)=[O:27])[CH2:4]1>>[N:1]1([CH:43]2[CH2:42][CH2:41][CH:40]([C:38]([O:37][CH2:35][CH3:36])=[O:39])[CH2:45][CH2:44]2)[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH2:22][C:23]([F:24])([F:25])[F:26])[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]23)=[O:27])[CH2:4]1

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 317638Ethyl 4-oxocyclohexanecarboxylate

HCID 86660183N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

생성물 1

HCID 54755562HCID 54755562, 화합물

출처 및 근거

ORD 기록: ord-0672e11e761d4dd8a566cefca4bcfcb6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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