HRID289877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

结构：O=C(O)C1CCc2c(c3ccccc3n2C(=O)c2ccccc2)C1

HCID53880483

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OCOC(=O)C1CCc2c(c3ccccc3n2C(=O)c2ccccc2)C1

HCID21548311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f5b280074df41c1932306348524e641
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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