HRID2135672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID136914

Benzenamine, 4-(phenylmethyl)-

C13H13N

HCID1479087

ethyl 4,6-dichloroquinoline-3-carboxylate

C12H9Cl2NO2

PRODUCTS

生成物

结构：CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(Cc2ccccc2)cc1

HCID58524965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51d6b40a45f24ba5aacf0481b7307269
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[c:25]1[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]2[cH:10][cH:11][c:12]([Cl:17])[cH:13][c:14]2[c:15]1[Cl:16].[CH2:35]1[O:36][CH2:37][CH2:38][O:39][CH2:40]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Na+:34].[OH-:33].[OH2:32]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]2[cH:10][cH:11][c:12]([Cl:17])[cH:13][c:14]2[c:15]1[NH:31][c:28]1[cH:27][cH:26][c:25]([CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:30][cH:29]1