HRID1567480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID4310230

未命名化合物

结构：CC(C)CCN(c1ccc(NC(=O)OCc2ccccc2)cc1)C1CCNCC1

HCID18380603

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCN(c1ccc(NC(=O)OCc2ccccc2)cc1)C1CCN(C(=O)C(CC(C)C)NC(=O)N2CCCCCC2)CC1

HCID69968874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f8c9968428b441da13fe3ff9acbb6b2
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

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