HRID2142350

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)c(NC=O)c1

HCID21880648

未命名化合物

HCID67520640

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC(CNCCc1ccc(OCCC23CC4CC(CC(C4)C2)C3)cc1)c1ccc(OCc2ccccc2)c(NC=O)c1

HCID90715370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0570725c3e24a7684901bf59e0b3e7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]12([CH2:11][CH2:12][O:13][c:14]3[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH2:22])[cH:18][cH:19]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[C:53](=[O:54])([O-:55])[OH:56].[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[O:30][c:31]1[c:32]([NH:48][CH:49]=[O:50])[cH:33][c:34]([CH:37]([CH2:38][Br:39])[O:40][Si:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[CH3:47])[cH:35][cH:36]1.[CH3:58][S:59](=[O:60])[CH3:61].[I-:52].[Na+:51].[Na+:57].[OH2:62]>>[C:1]12([CH2:11][CH2:12][O:13][c:14]3[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][CH2:38][CH:37]([c:34]4[cH:33][c:32]([NH:48][CH:49]=[O:50])[c:31]([O:30][CH2:23][c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)[cH:36][cH:35]4)[O:40][Si:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[CH3:47])[cH:18][cH:19]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2