HRID822930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID11450272

(2-iodoethoxy)triisopropylsilane

C11H25IOSi

结构：CCc1cc(O)c(F)c(C(=Nc2ccc(C#N)c(CNC(=O)OC(C)(C)C)c2)C(=NC(=O)OC)SC)c1

HCID72311195

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(OCCO[Si](C(C)C)(C(C)C)C(C)C)c(F)c(C(=Nc2ccc(C#N)c(CNC(=O)OC(C)(C)C)c2)C(=NC(=O)OC)SC)c1

HCID72311196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d35127b1c874601be647b7fbfe489fc
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:43](=[O:44])([O-:45])[O-:46].[CH3:1][O:2][C:3]([N:4]=[C:5]([C:6]([c:7]1[c:8]([F:16])[c:9]([OH:15])[cH:10][c:11]([CH2:13][CH3:14])[cH:12]1)=[N:17][c:18]1[cH:19][c:20]([CH2:26][NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:21]([C:24]#[N:25])[cH:22][cH:23]1)[S:35][CH3:36])=[O:37].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[Cs+:47].[Cs+:48].[I:49][CH2:50][CH2:51][O:52][Si:53]([CH:54]([CH3:55])[CH3:56])([CH:57]([CH3:58])[CH3:59])[CH:60]([CH3:61])[CH3:62].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:63]>>[CH3:1][O:2][C:3]([N:4]=[C:5]([C:6]([c:7]1[c:8]([F:16])[c:9]([O:15][CH2:50][CH2:51][O:52][Si:53]([CH:54]([CH3:55])[CH3:56])([CH:57]([CH3:58])[CH3:59])[CH:60]([CH3:61])[CH3:62])[cH:10][c:11]([CH2:13][CH3:14])[cH:12]1)=[N:17][c:18]1[cH:19][c:20]([CH2:26][NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:21]([C:24]#[N:25])[cH:22][cH:23]1)[S:35][CH3:36])=[O:37]