HRID814601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID15458

tert-Butyl acrylate

C7H12O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CCOC(=O)C1SC(Nc2ccccc2C(F)(F)F)=NC1=O

HCID178470560

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(CCC(=O)OC(C)(C)C)SC(Nc2ccccc2C(F)(F)F)=NC1=O

HCID178469100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00d4a8c795124ed48d418aeca0464c8f
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:23]([CH:24]=[CH2:25])(=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31].[CH2:32]1[CH2:33][CH2:34][C:35]2=[N:40][CH2:39][CH2:38][CH2:37][N:36]2[CH2:41][CH2:42]1.[CH3:43][CH2:44][OH:45].[O:1]=[C:2]1[N:3]=[C:4]([NH:12][c:13]2[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]2)[S:5][CH:6]1[C:7](=[O:8])[O:9][CH2:10][CH3:11]>>[O:1]=[C:2]1[N:3]=[C:4]([NH:12][c:13]2[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]2)[S:5][C:6]1([C:7](=[O:8])[O:9][CH2:10][CH3:11])[CH2:25][CH2:24][C:23](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31]