HRID147811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID69403

Propyl isothiocyanate

C4H7NS

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1ccc(Cl)cc1C(=O)NCCC1CCN(S(N)(=O)=O)CC1

HCID12282030

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=S)NS(=O)(=O)N1CCC(CCNC(=O)c2cc(Cl)ccc2OC)CC1

HCID59660706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd1f040ce1f1476b9a92f679fcca86dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:25](=[O:26])([O-:27])[O-:28].[CH2:31]([CH2:32][CH3:33])[N:34]=[C:35]=[S:36].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:23][CH3:24])[c:6]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][CH:12]2[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[NH2:21])[CH2:16][CH2:17]2)[cH:22]1.[ClH:37].[Cs+:29].[Cs+:30]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:23][CH3:24])[c:6]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][CH:12]2[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[NH:21][C:35]([NH:34][CH2:31][CH2:32][CH3:33])=[S:36])[CH2:16][CH2:17]2)[cH:22]1