2,6-Dimethylpiperazine → 5-[[1-[[2-Chloro-4-(2-hydroxypropan-2-yl)phenyl]methyl]indazol-5-yl]methylidene]-2-(3,5-dimethylpiperazin-1-yl)-1,3-thiazol-4-one

반응식

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

참가 물질

반응물 2

HCID 660562,6-Dimethylpiperazine

HCID 672417045-{1-[2-Chloro-4-(1-hydroxy-1-methyl-ethyl)benzyl]-1H-indazol-5-ylmethylene}-2-ethylsulfanyl-thiazol-4-one

생성물 1

HCID 672409045-[[1-[[2-Chloro-4-(2-hydroxypropan-2-yl)phenyl]methyl]indazol-5-yl]methylidene]-2-(3,5-dimethylpiperazin-1-yl)-1,3-thiazol-4-one

출처 및 근거

ORD 기록: ord-3f7540076d6f4f26bb83113f74262d77
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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