HRID195142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID11379

2-Quinolinamine

C9H8N2

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2762725

3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid

C14H16Cl2O2

PRODUCTS

生成物

结构：O=C(Nc1ccc2ccccc2n1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

HCID10223455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2df0d3852f8045aa8123bc58d5f43846
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

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