HRID1546492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID87885

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

C6H11ClO2

结构：CCCCn1c(=O)[nH]c(=O)c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc21

HCID21891817

未命名化合物

PRODUCTS

生成物

结构：CCCCn1c(=O)[nH]c(=O)c2c1nc(Cc1ccc(NC(C)=O)cc1)n2COC(=O)C(C)(C)C

HCID58739266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ef642d060ad4dc39e5547362a6c076e
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

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