HRID2341894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID17965928

未命名化合物

HCID67271882

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C#N)ccc1CN(Cc1ncc(C)cc1C)C1CCCc2cccnc21

HCID67272621

5-Cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8yl)amino]-methyl}-benzoic acid methyl ester

C27H28N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-907bfe138d0748b498cc71dbbeba374b
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

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