HRID2339294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

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+

HCID15940811

3-(Pyridin-4-yl)-3,9-diazaspiro[5.5]undecane

C14H21N3

结构：O=C(O)c1noc2c1CN(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2

HCID59483858

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2onc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)c2C1

HCID59483817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-035023b9a9964788848d60aa45d685d2
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

[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[CH3:85][CH2:86][O:87][CH2:88][CH3:89].[Cl:34][c:35]1[cH:36][c:37]([NH:42][C:43](=[O:44])[N:45]2[CH2:46][c:47]3[c:48]([o:51][n:52][c:53]3[C:54](=[O:55])[OH:56])[CH2:49][CH2:50]2)[cH:38][cH:39][c:40]1[Cl:41].[ClH:1].[ClH:2].[ClH:84].[O:90]=[CH:91][N:92]([CH3:93])[CH3:94].[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][C:12]3([CH2:13][CH2:14]2)[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[cH:7][cH:8]1.[n:64]1([O:65][P+:66]([N:67]([CH3:68])[CH3:69])([N:70]([CH3:71])[CH3:72])[N:73]([CH3:74])[CH3:75])[c:76]2[cH:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[n:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][C:12]3([CH2:13][CH2:14]2)[CH2:15][CH2:16][N:17]([C:54]([c:53]2[c:47]4[c:48]([o:51][n:52]2)[CH2:49][CH2:50][N:45]([C:43]([NH:42][c:37]2[cH:36][c:35]([Cl:34])[c:40]([Cl:41])[cH:39][cH:38]2)=[O:44])[CH2:46]4)=[O:55])[CH2:18][CH2:19]3)[cH:7][cH:8]1