HRID2338925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

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+

HCID557600

3-Methyl-1H-pyrazole-4-carboxylic acid

C5H6N2O2

HCID2782448

1-[3-(trifluoromethyl)phenyl]ethanamine

C9H10F3N

PRODUCTS

生成物

结构：Cc1[nH]ncc1C(=O)NC(C)c1cccc(C(F)(F)F)c1

HCID58443401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-694306c1019248d086260a2a88412a74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:1][c:2]1[c:3]([C:7](=[O:8])[OH:9])[cH:4][n:5][nH:6]1.[Cl-:62].[F:44][C:45]([c:46]1[cH:47][c:48]([CH:52]([CH3:53])[NH2:54])[cH:49][cH:50][cH:51]1)([F:55])[F:56].[NH4+:63].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[n:24]1([O:25][P+:26]([N:27]([CH3:28])[CH3:29])([N:30]([CH3:31])[CH3:32])[N:33]([CH3:34])[CH3:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[CH3:1][c:2]1[c:3]([C:7](=[O:9])[NH:54][CH:52]([c:48]2[cH:47][c:46]([C:45]([F:44])([F:55])[F:56])[cH:51][cH:50][cH:49]2)[CH3:53])[cH:4][n:5][nH:6]1