HRID182196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID16028

Tetrabutylammonium

C16H36N+

HCID87184

4-Amino-3-chlorophenol

C6H6ClNO

HCID10661998

7-(benzyloxy)-4-chloro-6-methoxyquinazoline

C16H13ClN2O2

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc(N)c(Cl)c3)ncnc2cc1OCc1ccccc1

HCID22667232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5549290cfedf4b99a5b14e354e84587d
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:20][CH3:21])[cH:11][c:12]2[c:13]([Cl:19])[n:14][cH:15][n:16][c:17]2[cH:18]1.[CH3:39][CH2:40][CH2:41][CH2:42][N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55].[CH3:56][C:57](=[O:58])[CH3:59].[CH:34]([Cl:35])([Cl:36])[Cl:37].[Cl-:38].[ClH:22].[NH2:23][c:24]1[c:25]([Cl:31])[cH:26][c:27]([OH:30])[cH:28][cH:29]1.[Na+:33].[OH-:32].[OH2:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:20][CH3:21])[cH:11][c:12]2[c:13]([O:30][c:27]3[cH:26][c:25]([Cl:31])[c:24]([NH2:23])[cH:29][cH:28]3)[n:14][cH:15][n:16][c:17]2[cH:18]1