HRID1214357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID86216773

未命名化合物

结构：CC(C)(C)C(=O)OC(=O)c1cc(C(F)(F)F)nn1-c1ccc(F)c(C#N)c1

HCID87322319

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)C(C(=O)c1cc(C(F)(F)F)nn1-c1ccc(F)c(C#N)c1)c1ccc(-n2ccccc2=O)cc1F

HCID22240407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aeea9544f5084ef1bb806bbe9685924b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:32][C:33]([CH3:34])([CH3:35])[C:38]([O:36][C:37]([c:39]1[cH:40][c:41]([C:53]([F:54])([F:55])[F:56])[n:42][n:43]1-[c:44]1[cH:45][c:46]([C:51]#[N:52])[c:47]([F:50])[cH:48][cH:49]1)=[O:57])=[O:58].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:71][N:72]([P:73]([N:74]([CH3:75])[CH3:76])([N:77]([CH3:78])[CH3:79])=[O:80])[CH3:81].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[F:13][c:14]1[c:15]([CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:16][cH:17][c:18](-[n:20]2[c:21](=[O:26])[cH:22][cH:23][cH:24][cH:25]2)[cH:19]1.[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:70]>>[F:13][c:14]1[c:15]([CH:27]([C:28](=[O:29])[O:30][CH3:31])[C:37](=[O:36])[c:39]2[cH:40][c:41]([C:53]([F:54])([F:55])[F:56])[n:42][n:43]2-[c:44]2[cH:45][c:46]([C:51]#[N:52])[c:47]([F:50])[cH:48][cH:49]2)[cH:16][cH:17][c:18](-[n:20]2[c:21](=[O:26])[cH:22][cH:23][cH:24][cH:25]2)[cH:19]1