HRID214577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID12081

Benzoic acid, 4-bromo-, methyl ester

C8H7BrO2

HCID83795

1-Acetylpiperazine

C6H12N2O

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

PRODUCTS

生成物

HCID57440409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82e4a372103b4a6e8763a39489ffbe4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:10][c:11]1[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]1.[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1.[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH:29]1([P:30]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2-[c:43]2[c:44]([O:45][CH3:46])[cH:47][cH:48][cH:49][c:50]2[O:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[K+:26].[K+:27].[K+:28].[P:21]([O-:22])([O-:23])([O-:24])=[O:25]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]2)[CH2:8][CH2:9]1