HRID97765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6329

Methylamine

CH5N

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

结构：COC(=O)c1nn(CC(C)=O)c(C(=O)OC)c1OCc1ccccc1

HCID68954281

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)C(C)C2

HCID68953978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27b502e7c1a34abeb897f6a915f6bcb6
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][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[C:42]([OH:43])(=[O:44])[CH3:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:22](=[O:23])[O:24][CH3:25])[n:11][n:12]([CH2:18][C:19](=[O:16])[CH3:20])[c:13]1[C:14](=[O:15])[O:17][CH3:21].[CH3:26][NH2:27].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:46][CH2:47][Cl:48].[Na+:41]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:22](=[O:23])[O:24][CH3:25])[n:11][n:12]2[c:13]1[C:14](=[O:15])[N:27]([CH3:26])[CH:19]([CH3:20])[CH2:18]2