HRID165780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID21831811

未命名化合物

结构：CC(C)(C)[Si](C)(C)OC(CBr)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

HCID21880641

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC(CNCCc1ccc(Oc2cccc(Cl)c2)cc1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

HCID178455263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a24c131476740389e1ac1766ad9b10f
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:50](=[O:51])([O-:52])[O-:53].[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[O:25][c:26]1[cH:27][cH:28][c:29]([CH:37]([CH2:38][Br:39])[O:40][Si:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[CH3:47])[c:30]2[cH:31][cH:32][c:33](=[O:36])[nH:34][c:35]12.[CH3:56][S:57]([CH3:58])=[O:59].[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([CH2:12][CH2:13][NH2:14])[cH:10][cH:11]2)[cH:15][cH:16][cH:17]1.[Cl:60][CH2:61][Cl:62].[I-:49].[K+:54].[K+:55].[Na+:48]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([CH2:12][CH2:13][NH:14][CH2:38][CH:37]([c:29]3[cH:28][cH:27][c:26]([O:25][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[c:35]4[c:30]3[cH:31][cH:32][c:33](=[O:36])[nH:34]4)[O:40][Si:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[CH3:47])[cH:10][cH:11]2)[cH:15][cH:16][cH:17]1