1-Methylpiperazine → 5-[1-(4-Methanesulfonyl-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-(4-methyl-piperazin-1-yl)-thiazol-4-one

반응식

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

참가 물질

반응물 2

HCID 531671-Methylpiperazine

HCID 672399595-[1-(4-Methanesulfonyl-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-methylsulfanyl-thiazol-4-one

생성물 1

HCID 672411975-[1-(4-Methanesulfonyl-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-(4-methyl-piperazin-1-yl)-thiazol-4-one

출처 및 근거

ORD 기록: ord-82ed1631ec4b4721b54dfeb79b49f0e7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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