HRID1550043

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

HCID11301470

4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-fluorobenzenamine

C17H15FN2O3

PRODUCTS

生成物

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

HCID21889994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94776903f69e41d7ad5284de73a309ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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