HRID814344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID92342

Pyridine, 2-chloro-5-(trifluoromethyl)-

C6H3ClF3N

结构：N#Cc1ccc(-c2nc(NCCN)ncc2-c2ncc[nH]2)cc1

HCID57231913

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(-c2nc(NCCNc3ccc(C(F)(F)F)cn3)ncc2-c2ncc[nH]2)cc1

HCID57142481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-573207d5cc9441068710903901951003
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

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