HRID151600

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

HCID67520349

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC(CNCCc1cccc(OCCC23CC4CC(CC(C4)C2)C3)c1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

HCID178455258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db3239d08e2641d38702a1005b2efe9c
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:1]12([CH2:11][CH2:12][O:13][c:14]3[cH:15][c:16]([CH2:20][CH2:21][NH2:22])[cH:17][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[cH:32][cH:33][c:34]([CH:42]([CH2:43][Br:44])[O:45][Si:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])[c:35]2[cH:36][cH:37][c:38](=[O:41])[nH:39][c:40]12.[CH3:60][S:61](=[O:62])[CH3:63].[I-:59].[Na+:57].[Na+:58].[OH2:64]>>[C:1]12([CH2:11][CH2:12][O:13][c:14]3[cH:15][c:16]([CH2:20][CH2:21][NH:22][CH2:43][CH:42]([c:34]4[cH:33][cH:32][c:31]([O:30][CH2:23][c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)[c:40]5[c:35]4[cH:36][cH:37][c:38](=[O:41])[nH:39]5)[O:45][Si:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])[cH:17][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