HRID159453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID88889

1-(3,4-Dihydro-2-naphthyl)pyrrolidine

C14H17N

HCID62115042

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=[N+]([O-])c1ccc(CC2C(=[N+]3CCCC3)CCc3ccccc32)cc1OCc1ccccc1

HCID68839034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a4fcdb3c5c7434f98ff611c36a364bb
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

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