HRID2314295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID62324

Propanoyl chloride

C3H5ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：CNCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F

HCID59410639

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)N(C)CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F

HCID59410652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4990c91680c34b3eb7d98f53bacc04c9
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

[C:37]([CH2:38][CH3:39])(=[O:40])[Cl:41].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:1][n:2]1[cH:3][n:4][c:5]2[c:6]([C:26]#[N:27])[n:7][c:8](-[c:11]3[cH:12][c:13]([C:22]([F:23])([F:24])[F:25])[c:14]([O:17][CH2:18][CH2:19][NH:20][CH3:21])[cH:15][cH:16]3)[cH:9][c:10]12.[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36]>>[CH3:1][n:2]1[cH:3][n:4][c:5]2[c:6]([C:26]#[N:27])[n:7][c:8](-[c:11]3[cH:12][c:13]([C:22]([F:23])([F:24])[F:25])[c:14]([O:17][CH2:18][CH2:19][N:20]([CH3:21])[C:37]([CH2:38][CH3:39])=[O:40])[cH:15][cH:16]3)[cH:9][c:10]12