HRID289990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6358

2-Bromopropane

C3H7Br

结构：CC[Si](CC)(CC)OC(COc1ccccc1)CN(C(=O)OC(C)(C)C)C1CCCc2ccc(O)cc2C1

HCID178477590

未命名化合物

PRODUCTS

生成物

结构：CC[Si](CC)(CC)OC(COc1ccccc1)CN(C(=O)OC(C)(C)C)C1CCCc2ccc(OC(C)C)cc2C1

HCID178477591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9742733d347e404c8d7062fcd3c66254
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:50][S:51]([CH3:52])=[O:53].[CH:41]([CH3:42])([CH3:43])[Br:44].[K+:2].[Na+:45].[OH-:1].[OH:3][c:4]1[cH:5][c:6]2[c:7]([cH:39][cH:40]1)[CH2:8][CH2:9][CH2:10][CH:11]([N:13]([CH2:14][CH:15]([CH2:16][O:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][Si:25]([CH2:26][CH3:27])([CH2:28][CH3:29])[CH2:30][CH3:31])[C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:12]2.[OH:46][C:47](=[O:48])[O-:49]>>[O:3]([c:4]1[cH:5][c:6]2[c:7]([cH:39][cH:40]1)[CH2:8][CH2:9][CH2:10][CH:11]([N:13]([CH2:14][CH:15]([CH2:16][O:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][Si:25]([CH2:26][CH3:27])([CH2:28][CH3:29])[CH2:30][CH3:31])[C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:12]2)[CH:41]([CH3:42])[CH3:43]