HRID821513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCNCC1

HCID3055243

(Piperazin-1-yl)(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)methanone

C21H19F3N4O

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)CC1

HCID3055246

N,N-Dimethyl-4-(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoyl)piperazine-1-sulfonamide

C23H24F3N5O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-716e24329e64489a9165235bc446a22b
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

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