HRID2313207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID11782230

4-Chloro-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazoline

C16H20ClN3O2

HCID22030958

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc4nc(Cl)[nH]c4c3)ncnc2cc1OCC1CCN(C)CC1

HCID22030660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfded2dfe1bd444b94775e3ea20a1902
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:43][OH:44].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl-:36].[Cl:14][c:15]1[n:16][cH:17][n:18][c:19]2[cH:20][c:21]([O:27][CH2:28][CH:29]3[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[c:22]([O:25][CH3:26])[cH:23][c:24]12.[Cl:1][c:2]1[nH:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([OH:11])[cH:10]2.[Cl:45][CH2:46][Cl:47].[H-:12].[NH4+:37].[Na+:13].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[nH:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:15]1[n:16][cH:17][n:18][c:19]3[cH:20][c:21]([O:27][CH2:28][CH:29]4[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]4)[c:22]([O:25][CH3:26])[cH:23][c:24]13)[cH:10]2