HRID1117722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(COS(C)(=O)=O)nc2)CC1

HCID86654264

未命名化合物

HCID101986775

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(COc3ccc(S(N)(=O)=O)cc3)nc2)CC1

HCID86654263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf416db3f8894f90a0c92465fd2de75c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][c:7]1[n:8][cH:9][c:10]([CH:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]2)[cH:11][cH:12]1.[CH3:40][S:41](=[O:42])[CH3:43].[Cl-:38].[K+:37].[NH4+:39].[S:26]([NH2:27])(=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([O-:36])[cH:34][cH:35]1>>[O:5]([CH2:6][c:7]1[n:8][cH:9][c:10]([CH:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]2)[cH:11][cH:12]1)[c:33]1[cH:32][cH:31][c:30]([S:26]([NH2:27])(=[O:28])=[O:29])[cH:35][cH:34]1