HRID92351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID69364

Propanoyl chloride, 3-chloro-

C3H4Cl2O

结构：CC(C)(C)OC(=O)N1CCc2[nH]c3c(N)cccc3c2C1

HCID22036788

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2[nH]c3c(NC(=O)CCCl)cccc3c2C1

HCID22036735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e8601a43d9b4066a6ca0e4b9212fb4a
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:28](=[O:29])([OH:30])[O-:31].[CH3:39][N:40]([c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1)[CH3:47].[Cl:22][CH2:23][CH2:24][C:25](=[O:26])[Cl:27].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]12)[CH2:11][CH2:12][N:13]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:14]3.[Na+:32].[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]12)[CH2:11][CH2:12][N:13]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:14]3)[C:25]([CH2:24][CH2:23][Cl:22])=[O:26]