HRID1213615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID18358

3-(Chloromethyl)pyridine

C6H6ClN

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID22663822

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)N(Cc1cccnc1)c1ccc(-c2ccc(C#N)cc2)cc1

HCID23521724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97b09ebe674d4849acfc1141ea2941df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([NH:15][S:16](=[O:17])(=[O:18])[CH2:19][CH3:20])[cH:13][cH:14]2)[cH:7][cH:8]1.[C:30](=[O:31])([O-:32])[O-:33].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[ClH:21].[Cs+:34].[Cs+:35].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:47].[cH:22]1[c:23]([CH2:28][Cl:29])[cH:24][cH:25][cH:26][n:27]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([N:15]([S:16](=[O:17])(=[O:18])[CH2:19][CH3:20])[CH2:28][c:23]3[cH:22][n:27][cH:26][cH:25][cH:24]3)[cH:13][cH:14]2)[cH:7][cH:8]1