HRID118861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID56953627

未命名化合物

HCID86653521

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)cc(C(F)(F)F)c1

HCID58267974

1-(3-(6,7-Dimethoxyquinazolin-4-ylthio)phenyl)-3-(3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl)urea

C27H25F3N4O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8092e2e804f41bca418013957a2ff6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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