HRID187316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID11141792

4-chloro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline

C16H20ClN3O2

HCID22030722

1H-Pyrrolo[2,3-b]pyridin-5-ol

C7H6N2O

PRODUCTS

生成物

结构：COc1cc2c(Oc3cnc4[nH]ccc4c3)ncnc2cc1OCCCN1CCCC1

HCID22030588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c6f143e133e4d52b171432bf1afee83
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

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