HRID1566205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID6404566

1-benzyl-4-chlorophthalazine

C15H11ClN2

HCID15925817

4-(4-Nitrophenyl)piperidine

C11H14N2O2

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(C2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1

HCID59240568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42457637f5e44022b7716df46fd66337
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][n:10][c:11]([Cl:18])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[CH3:35][N:36]1[CH2:37][CH2:38][CH2:39][C:40]1=[O:41].[N+:19](=[O:20])([O-:21])[c:22]1[cH:23][cH:24][c:25]([CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:26][cH:27]1.[OH2:34]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][n:10][c:11]([N:31]2[CH2:30][CH2:29][CH:28]([c:25]3[cH:24][cH:23][c:22]([N+:19](=[O:20])[O-:21])[cH:27][cH:26]3)[CH2:33][CH2:32]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12