HRID2146824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1480

2,4,5-Trichlorophenoxyacetic acid

C8H5Cl3O3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID236984

Methyl 2-aminopyridine-4-carboxylate

C7H8N2O2

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccnc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1

HCID24812095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a58baa8248f9462ca901ee8bd372e606
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

[CH3:15][O:16][C:17]([c:18]1[cH:19][c:20]([NH2:24])[n:21][cH:22][cH:23]1)=[O:25].[CH3:60][N:61]([c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1)[CH3:68].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[OH:8])[cH:9][c:10]([Cl:14])[c:11]([Cl:13])[cH:12]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:59].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][P+:35]([N:36]2[CH2:37][CH2:38][CH2:39][CH2:40]2)([N:41]2[CH2:42][CH2:43][CH2:44][CH2:45]2)[N:46]2[CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:8])[NH:24][c:20]2[cH:19][c:18]([C:17]([O:16][CH3:15])=[O:25])[cH:23][cH:22][n:21]2)[cH:9][c:10]([Cl:14])[c:11]([Cl:13])[cH:12]1