HRID145123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID93653

5-Chloro-2-fluorobenzonitrile

C7H3ClFN

结构：CC(Nc1ncnc2c1CNCC2)c1ccc(C(F)(F)F)nc1

HCID68420774

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1ncnc2c1CN(c1ccc(Cl)cc1C#N)CC2)c1ccc(C(F)(F)F)nc1

HCID69178014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-199a4a623b7546c9ac4f534ddcae62c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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