HRID313712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID21441

2-Chloro-4-anisidine

C7H8ClNO

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID10397329

2-Oxoindoline-4-carboxylic acid

C9H7NO3

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2cccc3c2CC(=O)N3)cc1Cl

HCID70160664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bddfb91d55334776a04f6646e39d56df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][N:57]([CH3:58])[c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Cl:14][c:15]1[cH:16][c:17]([NH2:23])[cH:18][cH:19][c:20]1[O:21][CH3:22].[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][cH:7][c:8]([C:11](=[O:12])[OH:13])[c:9]2[CH2:10]1.[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[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>>[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][cH:7][c:8]([C:11](=[O:13])[NH:23][c:17]3[cH:16][c:15]([Cl:14])[c:20]([O:21][CH3:22])[cH:19][cH:18]3)[c:9]2[CH2:10]1