HRID1116485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

结构：CC(C)(C)[Si](C)(C)OC(CSCC(=O)O)c1ccc(F)cc1

HCID76596487

未命名化合物

HCID86628620

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(C2C(SCC(O[Si](C)(C)C(C)(C)C)c3ccc(F)cc3)C(=O)N2c2ccc(I)cc2)cc1

HCID178501754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07af846d6ecf4da1a301d8e49c6511e1
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

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