HRID98810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID271

Calcium ion

Ca+2

HCID312

Chloride

Cl-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

HCID1176

Urea

CH4N2O

HCID8857

Ethyl acetate

C4H8O2

HCID9845

Trifluoroacetic anhydride

C4F6O3

结构：CCn1c(=O)n(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)c2nccc(C)c21

HCID58577569

未命名化合物

PRODUCTS

生成物

结构：CCn1c(=O)n(-c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)c2c1c(C)cc[n+]2[O-]

HCID58577485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f854abf8ed35441d882bd95388c359c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:14]([CH3:15])[n:16]1[c:17](=[O:43])[n:18](-[c:26]2[cH:27][cH:28][c:29]([O:32][Si:33]([CH:34]([CH3:35])[CH3:36])([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[cH:30][cH:31]2)[c:19]2[n:20][cH:21][cH:22][c:23]([CH3:25])[c:24]12.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[Ca+2:51].[Cl-:50].[Cl-:52].[F:1][C:2]([F:3])([F:5])[C:6](=[O:4])[O:7][C:8](=[O:9])[C:10]([F:11])([F:12])[F:13].[NH2:46][C:47]([NH2:48])=[O:49].[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[OH:44][OH:45]>>[O-:4][n+:20]1[c:19]2[n:18](-[c:26]3[cH:27][cH:28][c:29]([O:32][Si:33]([CH:34]([CH3:35])[CH3:36])([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[cH:30][cH:31]3)[c:17](=[O:43])[n:16]([CH2:14][CH3:15])[c:24]2[c:23]([CH3:25])[cH:22][cH:21]1