HRID96524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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+

HCID2735919

Phenol, 4-amino-3-fluoro-

C6H6FNO

HCID21081530

1-[(4-Fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H10FNO3

PRODUCTS

生成物

结构：O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(O)cc2F)CC1

HCID59596967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60631c8c14684f43a1372cdb42c6b4d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[ClH:51].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[C:11]2([C:14](=[O:15])[OH:16])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[NH2:52][c:53]1[c:54]([F:60])[cH:55][c:56]([OH:59])[cH:57][cH:58]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>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[C:11]2([C:14](=[O:16])[NH:52][c:53]3[c:54]([F:60])[cH:55][c:56]([OH:59])[cH:57][cH:58]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1