1,3-Dimethylpiperazine → 5-[[1-[[4-Chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-(2,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-one

반응식

[CH3:32][N:33]1[CH2:34][CH:35]([CH3:39])[NH:36][CH2:37][CH2:38]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:36]5[CH:35]([CH3:39])[CH2:34][N:33]([CH3:32])[CH2:38][CH2:37]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:26][cH:27]1

참가 물질

반응물 2

HCID 131520351,3-Dimethylpiperazine

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

생성물 1

HCID 767564225-[[1-[[4-Chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-(2,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-one

출처 및 근거

ORD 기록: ord-6e3cb2ac59534c1cab3dd4c14461f887
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

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