HRID288860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID518565

3,5-Difluorophenylacetonitrile

C8H5F2N

结构：O=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

HCID22506648

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：N#CC(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cc(F)cc(F)c1

HCID11316639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-297279a51228415891a2413fa7c46ddf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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