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

反応式

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

参加物

反応物 2

HCID 660562,6-Dimethylpiperazine

HCID 672402152-Ethylsulfanyl-5-{1-[4-(1-hydroxy-1-methyl-ethyl)-2-trifluoromethyl-benzyl]-1H-indazol-5-ylmethylene}-thiazol-4-one

生成物 1

HCID 767563592-(3,5-Dimethylpiperazin-1-yl)-5-[[1-[[4-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-1,3-thiazol-4-one

出典と根拠

ORDレコード: ord-4df57caf00d846e195ee2ea5b63c0584
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…