HRID136114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID232162

4-chlorobenzoyl isothiocyanate

C8H4ClNOS

HCID11616363

4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]benzenamine

C16H15N3O3

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3)c2cc1OC

HCID21890557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c027b5dc2e15482282b16d3e9ea51bd8
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

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