HRID664307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1346

Ortho-Methoxyphenylpiperazine

C11H16N2O

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

反应SMILES：Cc1ccc(COc2ccc(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)cc2OCCCCl)cc1

HCID19085541

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccccc1N1CCN(CCCOc2cc(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)ccc2OCc2ccc(C)cc2)CC1

HCID19085540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b9539c0c9bb64c39bb31f3f58a6ed8cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[C:55](=[O:56])([O-:57])[O-:58].[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][O:9][c:10]2[c:11]([O:36][CH2:37][CH2:38][CH2:39][Cl:40])[cH:12][c:13]([C:14](=[O:15])[c:16]3[cH:17][n:18]([S:25](=[O:26])(=[O:27])[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]34)[cH:34][cH:35]2)[cH:6][cH:7]1.[CH3:41][O:42][c:43]1[c:44]([N:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[cH:45][cH:46][cH:47][cH:48]1.[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[I-:62].[K+:59].[K+:60].[K+:61].[OH2:68]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][O:9][c:10]2[c:11]([O:36][CH2:37][CH2:38][CH2:39][N:52]3[CH2:51][CH2:50][N:49]([c:44]4[c:43]([O:42][CH3:41])[cH:48][cH:47][cH:46][cH:45]4)[CH2:54][CH2:53]3)[cH:12][c:13]([C:14](=[O:15])[c:16]3[cH:17][n:18]([S:25](=[O:26])(=[O:27])[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]34)[cH:34][cH:35]2)[cH:6][cH:7]1