HRID115071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID2757399

3-chlorobenzoyl isothiocyanate

C8H4ClNOS

HCID21890510

4-[(6,7-Dimethoxyquinolin-4-yl)oxy]-2-methylaniline

C18H18N2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)c(C)c3)c2cc1OC

HCID21890590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-336f428b0f704f3f939a97371fc8b10c
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

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