HRID688786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

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

HCID59410651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a73fb9f042e64a4188c1bcd31e2a02df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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