HRID1552767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID166653

Hydride

H-

HCID228227

DIALLYL MALONATE

C9H12O4

HCID18959012

tert-Butyl 4-(chloromethyl)benzoate

C12H15ClO2

PRODUCTS

生成物

结构：C=CCOC(=O)C(Cc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)OCC=C

HCID57965757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0945ccac0a2b4fc6b8993dede5cfb988
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:3]([CH2:4][C:5](=[O:6])[O:7][CH2:8][CH:9]=[CH2:10])(=[O:11])[O:12][CH2:13][CH:14]=[CH2:15].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[Cl-:31].[Cl:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30]1.[H-:1].[NH4+:32].[Na+:2].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH2:44]>>[C:3]([CH:4]([C:5](=[O:6])[O:7][CH2:8][CH:9]=[CH2:10])[CH2:17][c:18]1[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30]1)(=[O:11])[O:12][CH2:13][CH:14]=[CH2:15]