HRID2149285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID77802

Benzenemethanamine, 3-chloro-

C7H8ClN

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1

HCID22272537

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cc(NCc3cccc(Cl)c3)ccc2[N+](=O)[O-])CC1

HCID58707310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3b827e8b1214e809739339d15abc62c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:42][C:43]#[N:44].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:24][c:25]1[cH:26][c:27]([CH2:28][NH2:29])[cH:30][cH:31][cH:32]1.[F:1][c:2]1[cH:3][cH:4][c:5]([N+:21](=[O:22])[O-:23])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:7]1>>[c:2]1([NH:29][CH2:28][c:27]2[cH:26][c:25]([Cl:24])[cH:32][cH:31][cH:30]2)[cH:3][cH:4][c:5]([N+:21](=[O:22])[O-:23])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:7]1