HRID147110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6586

Methyl chlorocarbonate

C2H3ClO2

结构：CC(C)(Oc1cccc(C2CCCNC2)c1)C(=O)OCc1ccccc1

HCID68883956

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N1CCCC(c2cccc(OC(C)(C)C(=O)OCc3ccccc3)c2)C1

HCID68883848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba69692606484670bb4b8e1881f54ecf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH:2]([CH:3]([C:4]([OH:5])=[O:6])[OH:7])[OH:8])([OH:9])=[O:10].[C:37](=[O:38])([OH:39])[O-:40].[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][C:19]([C:20]([CH3:21])([O:22][c:23]1[cH:24][c:25]([CH:29]2[CH2:30][NH:31][CH2:32][CH2:33][CH2:34]2)[cH:26][cH:27][cH:28]1)[CH3:35])=[O:36].[Cl-:48].[Cl:42][C:43](=[O:44])[O:45][CH3:46].[ClH:47].[Na+:41].[OH2:49]>>[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][C:19]([C:20]([CH3:21])([O:22][c:23]1[cH:24][c:25]([CH:29]2[CH2:30][N:31]([C:43](=[O:44])[O:45][CH3:46])[CH2:32][CH2:33][CH2:34]2)[cH:26][cH:27][cH:28]1)[CH3:35])=[O:36]