HRID156861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID11218492

1-[4-(Trifluoromethyl)pyridin-2-yl]piperazine

C10H12F3N3

结构：CC(C)C1(C(=O)O)CCC(NC(=O)OC(C)(C)C)C1

HCID23533517

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCC(NC(=O)OC(C)(C)C)C1

HCID72573887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9560d5946fa46e99778d116e097163e
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

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