HRID940362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CNCCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F

HCID59410673

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(C)CCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F

HCID46842551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6248efee67947af808e24b04c6cf105
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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