HRID191522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11594543

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

C17H16N2O3

HCID22936234

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(S(C)(=O)=O)c4)cc3)c2cc1OC

HCID22936973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3059ea1da94e4f1c8e55c3c0ff15f506
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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]([NH2:22])[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:50][S:51](=[O:52])[CH3:53].[OH2:49].[c:23]1([O:29][C:30](=[O:24])[NH:31][c:32]2[cH:33][c:34]([S:38](=[O:39])(=[O:40])[CH3:41])[cH:35][cH:36][cH:37]2)[cH:25][cH:26][cH:27][cH:28][cH:42]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:22][C:30](=[O:29])[NH:31][c:32]4[cH:33][c:34]([S:38](=[O:39])(=[O:40])[CH3:41])[cH:35][cH:36][cH:37]4)[cH:20][cH:21]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]