HRID1231566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID12482984

未命名化合物

结构：COc1nc2cc([N+](=O)[O-])cc(CBr)c2nc1OC

HCID23297983

5-(Bromomethyl)-2,3-dimethoxy-7-nitroquinoxaline

C11H10BrN3O4

PRODUCTS

生成物

结构：CCOP(=O)(OCC)c1ccccc1NCc1cc([N+](=O)[O-])cc2nc(OC)c(OC)nc12

HCID23297993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc8219f707bb495a95bc2d52a00cabcc
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

[Br:1][CH2:2][c:3]1[c:4]2[n:5][c:6]([O:18][CH3:19])[c:7]([O:16][CH3:17])[n:8][c:9]2[cH:10][c:11]([N+:13](=[O:14])[O-:15])[cH:12]1.[CH3:44][C:45]#[N:46].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[NH2:20][c:21]1[c:22]([P:27]([O:28][CH2:29][CH3:30])([O:31][CH2:32][CH3:33])=[O:34])[cH:23][cH:24][cH:25][cH:26]1>>[CH2:2]([c:3]1[c:4]2[n:5][c:6]([O:18][CH3:19])[c:7]([O:16][CH3:17])[n:8][c:9]2[cH:10][c:11]([N+:13](=[O:14])[O-:15])[cH:12]1)[NH:20][c:21]1[c:22]([P:27]([O:28][CH2:29][CH3:30])([O:31][CH2:32][CH3:33])=[O:34])[cH:23][cH:24][cH:25][cH:26]1