HRID1124464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID429740

2-Amino-5-bromobenzonitrile

C7H5BrN2

HCID10446973

Diethyl {[4-(chlorocarbonyl)phenyl]methyl}phosphonate

C12H16ClO4P

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1)OCC

HCID131601

Ibrolipim

C19H20BrN2O4P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82aba6ca0eb5481490198d1653ce0ffa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:18]([CH3:19])[O:20][P:21](=[O:22])([O:23][CH2:24][CH3:25])[CH2:26][c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[Cl:33])[cH:34][cH:35]1.[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:37][N:38]([CH3:39])[c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1.[Cl:46][CH2:47][Cl:48].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Br:10])[cH:8][cH:9]1.[OH2:36]>>[NH:1]([c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Br:10])[cH:8][cH:9]1)[C:31]([c:30]1[cH:29][cH:28][c:27]([CH2:26][P:21]([O:20][CH2:18][CH3:19])(=[O:22])[O:23][CH2:24][CH3:25])[cH:35][cH:34]1)=[O:32]