HRID1214754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2776438

2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid

C11H6F3NO3

HCID11011301

tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate

C15H23N3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)CC1

HCID66738454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d511d7378a94f8a87b54a7163a48761
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH2:28][N:29]([c:32]2[cH:33][cH:34][c:35]([NH2:38])[cH:36][cH:37]2)[CH2:30][CH2:31]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:73][N:74]1[CH2:75][CH2:76][CH2:77][C:78]1=[O:79].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[c:1]1(-[c:7]2[o:8][c:9]([C:15]([F:16])([F:17])[F:18])[c:10]([C:12](=[O:13])[OH:14])[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:53]1([O:54][P+:55]([N:56]([CH3:57])[CH3:58])([N:59]([CH3:60])[CH3:61])[N:62]([CH3:63])[CH3:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[c:1]1(-[c:7]2[o:8][c:9]([C:15]([F:16])([F:17])[F:18])[c:10]([C:12](=[O:14])[NH:38][c:35]3[cH:34][cH:33][c:32]([N:29]4[CH2:28][CH2:27][N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH2:30]4)[cH:37][cH:36]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1