HRID836934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2760937

未命名化合物

结构：O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Cl)n3)ccc2N1

HCID21114635

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1

HCID11612883

6-[[4-[(3-Methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C22H20F3N5O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89634f264d194bbb898b251135295606
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:25][S:26](=[O:27])(=[O:28])[c:29]1[cH:30][c:31]([CH2:32][NH2:33])[cH:34][cH:35][cH:36]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[cH:14][c:15]3[c:20]([cH:21][cH:22]2)[NH:19][C:18](=[O:23])[CH2:17][CH2:16]3)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[ClH:24]>>[c:2]1([NH:33][CH2:32][c:31]2[cH:30][c:29]([S:26]([CH3:25])(=[O:27])=[O:28])[cH:36][cH:35][cH:34]2)[n:3][c:4]([NH:12][c:13]2[cH:14][c:15]3[c:20]([cH:21][cH:22]2)[NH:19][C:18](=[O:23])[CH2:17][CH2:16]3)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]