HRID688854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID429740

2-Amino-5-bromobenzonitrile

C7H5BrN2

HCID10446973

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

C12H16ClO4P

HCID11768751

4-diethylaminopyridine

C9H14N2

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-f6d07d6817324161a304f57978c78c40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:18]([N:19]([CH2:20][CH3:21])[c:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1)[CH3:28].[CH2:29]([CH3:30])[O:31][P:32](=[O:33])([O:34][CH2:35][CH3:36])[CH2:37][c:38]1[cH:39][cH:40][c:41]([C:42](=[O:43])[Cl:44])[cH:45][cH:46]1.[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[Cl:47][CH2:48][Cl:49].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Br:10])[cH:8][cH:9]1.[OH2:50]>>[NH:1]([c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Br:10])[cH:8][cH:9]1)[C:42]([c:41]1[cH:40][cH:39][c:38]([CH2:37][P:32]([O:31][CH2:29][CH3:30])(=[O:33])[O:34][CH2:35][CH3:36])[cH:46][cH:45]1)=[O:43]