HRID2139140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

4 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID87885

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

C6H11ClO2

结构：C=CCOC(=O)NC(=N)c1ccc(N2CC(OC)=C(c3ccc(CCC(=O)O)cc3)C2=O)cc1

HCID139627756

未命名化合物

PRODUCTS

生成物

结构：C=CCOC(=O)NC(=N)c1ccc(N2CC(OC)=C(c3ccc(CCC(=O)OCOC(=O)C(C)(C)C)cc3)C2=O)cc1

HCID145823946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93a93afbc2ab4ce29921adafd327fd6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:35]([C:36]([CH3:37])([CH3:38])[CH3:39])(=[O:40])[O:41][CH2:42][Cl:43].[C:46](=[O:47])([O-:48])[OH:49].[C:51](=[O:52])([O-:53])[O-:54].[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[NH:7][C:8](=[NH:9])[c:10]1[cH:11][cH:12][c:13]([N:16]2[C:17](=[O:34])[C:18]([c:23]3[cH:24][cH:25][c:26]([CH2:29][CH2:30][C:31](=[O:32])[OH:33])[cH:27][cH:28]3)=[C:19]([O:21][CH3:22])[CH2:20]2)[cH:14][cH:15]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[I-:45].[K+:44].[K+:50].[K+:55].[K+:56]>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[NH:7][C:8](=[NH:9])[c:10]1[cH:11][cH:12][c:13]([N:16]2[C:17](=[O:34])[C:18]([c:23]3[cH:24][cH:25][c:26]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:42][O:41][C:35]([C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[cH:27][cH:28]3)=[C:19]([O:21][CH3:22])[CH2:20]2)[cH:14][cH:15]1