HRID299599

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

HCID7505

Benzonitrile

C7H5N

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID76593366

未命名化合物

PRODUCTS

产物

HCID68913977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fc49f9878cc44e1bbb7541eaa6f963b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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