HRID295864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31275

1,4-Dioxane

C4H8O2

HCID2769364

4-Chloro-6,7-dimethoxyquinazoline

C10H9ClN2O2

结构：Nc1nc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2s1

HCID23132502

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3nc4ccc(NC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cc4s3)c2cc1OC

HCID23132500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-323b47f48403453bbd25d78fdaba0df4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[NH2:16][c:17]1[s:18][c:19]2[c:20]([n:21]1)[cH:22][cH:23][c:24]([NH:26][C:27](=[O:28])[NH:29][c:30]1[cH:31][c:32]([C:37]([F:38])([F:39])[F:40])[c:33]([Cl:36])[cH:34][cH:35]1)[cH:25]2.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[c:2]1([NH:16][c:17]2[s:18][c:19]3[c:20]([n:21]2)[cH:22][cH:23][c:24]([NH:26][C:27](=[O:28])[NH:29][c:30]2[cH:31][c:32]([C:37]([F:38])([F:39])[F:40])[c:33]([Cl:36])[cH:34][cH:35]2)[cH:25]3)[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12