2-Methoxy-1-(piperazin-1-yl)ethan-1-one → 5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[4-(2-methoxy-acetyl)-piperazin-1-yl]-thiazol-4-one

반응식

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

참가 물질

반응물 2

HCID 137155722-Methoxy-1-(piperazin-1-yl)ethan-1-one

HCID 672401235-[1-(4-chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-ethylsulfanyl-thiazol-4-one

생성물 1

HCID 672414295-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[4-(2-methoxy-acetyl)-piperazin-1-yl]-thiazol-4-one

출처 및 근거

ORD 기록: ord-69c33cdea33443cf82538d64b42323f1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

반응 노트

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