HRID2335313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID16788596

5-(aminomethyl)-N,N-dimethylpyridin-2-amine

C8H13N3

HCID59840695

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(CNc2ncnc3c2CN(c2ccc(Cl)cc2C#N)CC3)cn1

HCID25062408

5-Chloro-2-(4-((6-(dimethylamino)pyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile

C22H22ClN7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e4c9f91019740d08db3368ab1408389
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

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