HRID88907

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID1118

Sulfuric acid

H2O4S

HCID4093

Methacrylic Acid

C4H6O2

HCID6365

1,1-Dichloroethane

C2H4Cl2

结构：CC(C)(C)OC(=O)C12CC3CC(C1)CC(C(C)(C)O)(C3)C2

HCID67997339

未命名化合物

PRODUCTS

生成物

结构：C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C(=O)OC(C)(C)C)(C3)C1)C2

HCID67997342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfe2a5aed83b497db61680b85dd0651b
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

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