Azetidinecarboxylic Acid → 1-[5-[[1-[[4-Methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]azetidine-2-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 17288Azetidinecarboxylic Acid

HCID 672406575-[1-(4-methoxy-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-methylsulfanyl-thiazol-4-one

생성물 1

HCID 672397641-[5-[[1-[[4-Methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]azetidine-2-carboxylic acid

출처 및 근거

ORD 기록: ord-d79a0ac55d0d4d7cb7db259fe73f976c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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