Ethyl 4-oxocyclohexanecarboxylate → 4-{3-[2-(1-Methanesulfonyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexane carboxylic acid ethyl ester

반응식

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

참가 물질

반응물 2

HCID 317638Ethyl 4-oxocyclohexanecarboxylate

HCID 58548688N-(azetidin-3-yl)-2-[[1-methylsulfonyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

생성물 1

HCID 566785064-{3-[2-(1-Methanesulfonyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexane carboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-0ebf58278bd44d2a92d59dfa12d7ecfa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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