HRID686490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID141398

4-Nitrobenzoyl isothiocyanate

C8H4N2O3S

HCID21890510

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

C18H18N2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c(C)c3)c2cc1OC

HCID21890325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcbdc89db00e412695eae8b00a618aa8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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