HRID321431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：CC(C)(C)OC(=O)NS(=O)(=O)CP(=O)(c1ccccc1)c1ccccc1

HCID11395320

tert-Butyl ((diphenylphosphoryl)methyl)sulfonylcarbamate

C18H22NO5PS

HCID178418339

Butyllithium

C4H9Li

结构：CC(C)(C)[Si](C)(C)OC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1C=O

HCID178455081

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NS(=O)(=O)C=CC1CC(n2ccc3c(NC4CCc5ccccc54)ncnc32)CC1O[Si](C)(C)C(C)(C)C

HCID178454376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3eedcc9eea645dea4b890e0bd20498e
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][S:8](=[O:9])(=[O:10])[CH2:11][P:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)=[O:25])=[O:26].[C:38]([CH3:39])([CH3:40])([CH3:41])[Si:42]([O:43][CH:44]1[CH:45]([CH:68]=[O:69])[CH2:46][CH:47]([n:49]2[cH:50][cH:51][c:52]3[c:53]2[n:54][cH:55][n:56][c:57]3[NH:58][CH:59]2[CH2:60][CH2:61][c:62]3[cH:63][cH:64][cH:65][cH:66][c:67]32)[CH2:48]1)([CH3:70])[CH3:71].[CH2:27]([Li:28])[CH2:29][CH2:30][CH3:31].[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][S:8](=[O:9])(=[O:10])[CH:11]=[CH:68][CH:45]1[CH:44]([O:43][Si:42]([C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:70])[CH3:71])[CH2:48][CH:47]([n:49]2[cH:50][cH:51][c:52]3[c:53]2[n:54][cH:55][n:56][c:57]3[NH:58][CH:59]2[CH2:60][CH2:61][c:62]3[cH:63][cH:64][cH:65][cH:66][c:67]32)[CH2:46]1)=[O:26]