HRID1560775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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+

HCID57470861

1-[(2-Fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H10FNO3

结构：Nc1ccc(Oc2ccnc(N(C(=O)Oc3ccccc3)C(=O)Oc3ccccc3)c2)cc1F

HCID67136032

未命名化合物

PRODUCTS

生成物

结构：O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccccc4F)CC3)c(F)c2)ccn1

HCID59596918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72af3178d666426a8a05f7692882a4c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:85][N:86]([CH3:87])[CH:88]=[O:89].[F:35][c:36]1[c:37]([NH:42][C:43](=[O:44])[C:45]2([C:48](=[O:49])[OH:50])[CH2:46][CH2:47]2)[cH:38][cH:39][cH:40][cH:41]1.[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[c:1]1([O:7][C:8]([N:9]([C:10](=[O:11])[O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[n:20][cH:21][cH:22][c:23]([O:25][c:26]3[cH:27][c:28]([F:33])[c:29]([NH2:32])[cH:30][cH:31]3)[cH:24]2)=[O:34])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:65]1([O:66][P+:67]([N:68]([CH3:69])[CH3:70])([N:71]([CH3:72])[CH3:73])[N:74]([CH3:75])[CH3:76])[c:77]2[cH:78][cH:79][cH:80][cH:81][c:82]2[n:83][n:84]1>>[c:1]1([O:7][C:8]([N:9]([C:10](=[O:11])[O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[n:20][cH:21][cH:22][c:23]([O:25][c:26]3[cH:27][c:28]([F:33])[c:29]([NH:32][C:48]([C:45]4([C:43]([NH:42][c:37]5[c:36]([F:35])[cH:41][cH:40][cH:39][cH:38]5)=[O:44])[CH2:46][CH2:47]4)=[O:49])[cH:30][cH:31]3)[cH:24]2)=[O:34])[cH:2][cH:3][cH:4][cH:5][cH:6]1