HRID1142863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

3 次

HCID559224

1,2-Thiazole-3-carboxylic acid

C4H3NO2S

结构：CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCNC4)n[nH]c2c1

HCID178436901

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccsn3)C4)n[nH]c2c1

HCID178436918

{2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridin-5-yl}-isothiazol-3-yl-methanone

C25H21FN6O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b8776d00d644095ad48c7fe3d70f231
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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