HRID164304

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

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2735816

3-chloroisonicotinic acid

C6H4ClNO2

HCID2737729

2-amino-4-(trifluoromethoxy)phenol

C7H6F3NO2

PRODUCTS

生成物

HCID66880033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbb09252229b420d8aa3352eef513a2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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