HRID2134909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID2802556

4-(4-octoxyphenyl)benzoic acid

C21H26O3

HCID13649220

Diethyl [(2-aminophenyl)methyl]phosphonate

C11H18NO3P

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3CP(=O)(OCC)OCC)cc2)cc1

HCID86638333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03dbfbf381d448d297964231c2c2dcc3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[O:25][c:26]1[cH:27][cH:28][c:29](-[c:32]2[cH:33][cH:34][c:35]([C:38](=[O:39])[OH:40])[cH:36][cH:37]2)[cH:30][cH:31]1.[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[c:11]([NH2:16])[cH:12][cH:13][cH:14][cH:15]1.[CH2:71]([Cl:72])[CH2:73][Cl:74].[CH3:65][CH2:66][O:67][C:68]([CH3:69])=[O:70].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:50][n:51]1[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[c:11]([NH:16][C:38]([c:35]2[cH:34][cH:33][c:32](-[c:29]3[cH:28][cH:27][c:26]([O:25][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:31][cH:30]3)[cH:37][cH:36]2)=[O:39])[cH:12][cH:13][cH:14][cH:15]1