HRID116705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID3776

Isopropanol

C3H8O

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID31275

1,4-Dioxane

C4H8O2

HCID22639811

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：COc1ccc(Nc2nc(Nc3ccccc3)c3cccc(OC)c3n2)cc1

HCID9822755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8ba40d93aca465eaaf85a338f4f752a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:31]([O:32][CH2:33][CH3:34])[CH3:35].[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([NH2:27])[cH:28][cH:29]1.[CH:36]([OH:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[n:3][c:4]2[c:5]([O:19][CH3:20])[cH:6][cH:7][cH:8][c:9]2[c:10]([NH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:11]1.[ClH:30].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[ClH:1].[ClH:30].[c:2]1([NH:27][c:26]2[cH:25][cH:24][c:23]([O:22][CH3:21])[cH:29][cH:28]2)[n:3][c:4]2[c:5]([O:19][CH3:20])[cH:6][cH:7][cH:8][c:9]2[c:10]([NH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:11]1