HRID2349893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID8857

Ethyl acetate

C4H8O2

HCID4187788

(tert-Butyldimethylsilyloxy)acetaldehyde

C8H18O2Si

结构：Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

HCID23156738

未命名化合物

HCID178509334

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OCCNc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

HCID57558110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc8e49f9d1be48fda47f8cd21bdeb34c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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