HRID696795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

HCID10661998

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

C16H13ClN2O2

HCID11499482

N-(5-aminopyrimidin-2-yl)benzamide

C11H10N4O

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCc1ccccc1

HCID21114583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f785f2761104826a22af2cbff9fea88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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.[ClH:38].[NH2:22][c:23]1[cH:24][n:25][c:26]([NH:29][C:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])[n:27][cH:28]1.[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1>>[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]([NH:22][c:23]3[cH:24][n:25][c:26]([NH:29][C:30]([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)=[O:37])[n:27][cH:28]3)[n:14][cH:15][n:16][c:17]2[cH:18]1.[ClH:19].[ClH:38]