HRID314886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID810331

未命名化合物

HCID23132474

4-Chloro-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline

C17H23ClN4O2

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3ccc4nc(NC(=O)c5ccccc5)sc4c3)c2cc1OCCCN1CCN(C)CC1

HCID44467679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eeeb0ae74bd0452fa1318c0ef0e3dc0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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