HRID1204200

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

HCID11594543

4-(6,7-DIMETHOXY-QUINOLIN-4-YLOXY)-PHENYLAMINE

C17H16N2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c2cc1OC

HCID21889898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f275008fbb774b7ebc84936a61f16866
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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