HRID170365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2773314

1-(2-bromoethoxy)-3-(trifluoromethyl)benzene

C9H8BrF3O

HCID72489372

未命名化合物

PRODUCTS

生成物

结构：COc1ncnc2sc(NC(=O)N3CCC(NCCOc4cccc(C(F)(F)F)c4)C3)nc12

HCID24830288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b41a9e1646544528806c97f09478b20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:30][CH2:31][CH2:32][O:33][c:34]1[cH:35][c:36]([C:40]([F:41])([F:42])[F:43])[cH:37][cH:38][cH:39]1.[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[s:9][c:10]([NH:12][C:13](=[O:14])[N:15]1[CH2:16][CH:17]([NH2:20])[CH2:18][CH2:19]1)[n:11]2.[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[OH2:44]>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[s:9][c:10]([NH:12][C:13](=[O:14])[N:15]1[CH2:16][CH:17]([NH:20][CH2:31][CH2:32][O:33][c:34]3[cH:35][c:36]([C:40]([F:41])([F:42])[F:43])[cH:37][cH:38][cH:39]3)[CH2:18][CH2:19]1)[n:11]2