HRID173967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID30165

Iodide ion

I-

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

HCID21880641

未命名化合物

HCID50993080

6-(2,2-Difluoro-2-phenylethoxy)-1-hexanamine

C14H21F2NO

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC(CNCCCCCCOCC(F)(F)c1ccccc1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

HCID67245529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddbeff7f6ab846eeaf306674cfaf0e17
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:49](=[O:50])([OH:51])[O-:52].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH:20]([CH2:21][Br:22])[O:23][Si:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[c:13]2[cH:14][cH:15][c:16](=[O:19])[nH:17][c:18]12.[CH3:56][S:57]([CH3:58])=[O:59].[F:31][C:32]([CH2:33][O:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][NH2:41])([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[F:48].[I-:55].[Na+:53].[Na+:54].[OH2:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH:20]([CH2:21][NH:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35][O:34][CH2:33][C:32]([F:31])([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[F:48])[O:23][Si:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[c:13]2[cH:14][cH:15][c:16](=[O:19])[nH:17][c:18]12