HRID103511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1727

4-Aminopyridine

C5H6N2

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

结构：CNc1nc(Cl)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1

HCID86644312

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(Nc2ccncc2)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1

HCID25261615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f21fb6f19ee2482e9e0012c02abb8740
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:46][C:47]#[N:48].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[n:3][c:4]([N:10]2[CH2:11][CH2:12][CH:13]([C:16](=[O:17])[NH:18][CH2:19][c:20]3[c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24][cH:25]3)[CH2:14][CH2:15]2)[n:5][c:6]([NH:8][CH3:9])[n:7]1.[NH2:39][c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[c:2]1([NH:39][c:40]2[cH:41][cH:42][n:43][cH:44][cH:45]2)[n:3][c:4]([N:10]2[CH2:11][CH2:12][CH:13]([C:16](=[O:17])[NH:18][CH2:19][c:20]3[c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24][cH:25]3)[CH2:14][CH2:15]2)[n:5][c:6]([NH:8][CH3:9])[n:7]1