HRID293672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14232

N-Methoxymethylamine

C2H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

结构：Cc1ccc2c(=O)c(C(=O)O)cn(Cc3cccc(Br)n3)c2n1

HCID57754757

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2nc(C)ccc2c1=O

HCID57754525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12863c6b9ec548d29762a136d572e7f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:8][c:9]1[cH:10][cH:11][cH:12][c:13]([CH2:15][n:16]2[cH:17][c:18]([C:28](=[O:29])[OH:30])[c:19](=[O:27])[c:20]3[cH:21][cH:22][c:23]([CH3:26])[n:24][c:25]23)[n:14]1.[CH2:1]([P:2]([OH:3])([OH:4])=[O:5])[CH2:6][CH3:7].[CH3:31][NH:32][O:33][CH3:34].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:44][CH2:45][Cl:46].[OH2:47]>>[Br:8][c:9]1[cH:10][cH:11][cH:12][c:13]([CH2:15][n:16]2[cH:17][c:18]([C:28](=[O:29])[N:32]([CH3:31])[O:33][CH3:34])[c:19](=[O:27])[c:20]3[cH:21][cH:22][c:23]([CH3:26])[n:24][c:25]23)[n:14]1