HRID2323688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID65367

Methanesulfonic acid, trifluoro-, trimethylsilyl ester

C4H9F3O3SSi

HCID119981

未命名化合物

反应SMILES：CC(C)(C)OC(=O)C(=[N+]=[N-])C(=O)CCl

HCID56611923

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)C(=[N+]=[N-])C(=O)C(Cl)C1CC(=O)N1

HCID56634706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-327c29e09a634cbca59a94f6403b6193
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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