HRID1139373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID2757398

2-Chlorobenzoyl isothiocyanate

C8H4ClNOS

HCID11301470

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

C17H15FN2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4Cl)c(F)c3)c2cc1OC

HCID21890570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98d5cbda01f4403db1487f4099624e6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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