HRID199831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID10556

Propane, 1-iodo-2-methyl-

C4H9I

HCID166653

Hydride

H-

结构：O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)OCc1ccccc1

HCID2756242

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccccc2)c2ccccc21

HCID18444251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89c52da260134437a34d599bd67c5036
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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