HRID96498

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

HCID21890564

未命名化合物

PRODUCTS

产物

HCID21889993

N-(2-Chlorobenzoyl)-N'-{3-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl}thiourea

C24H18Cl2N4O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-72128776d1244ebcaae279e744639c2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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