HRID1235776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID3014378

2-Aminomethylquinoline

C10H10N2

HCID59840688

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N2CCc3ncnc(NCc4ccc5ccccc5n4)c3C2)c(C#N)c1

HCID25060850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91c6a54f6f704e848e65fe657994d7d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH2:11]2.[ClH:21].[n:22]1[c:23]([CH2:32][NH2:33])[cH:24][cH:25][c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]12>>[c:2]1([NH:33][CH2:32][c:23]2[n:22][c:31]3[c:26]([cH:25][cH:24]2)[cH:27][cH:28][cH:29][cH:30]3)[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH2:11]2