HRID1560394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID21834752

未命名化合物

结构：O=C(O)c1ccc(CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3CCCCC3)cc2)cc1

HCID22311078

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(O)CNC(=O)c1ccc(CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3CCCCC3)cc2)cc1

HCID87416910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35405a68eaf34fbca98728e231762564
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

[CH2:62]([CH3:63])[O:64][C:65]([CH:66]([CH2:67][NH2:68])[OH:69])=[O:70].[CH3:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH2:57][CH2:58][N:59]([CH3:60])[CH3:61].[CH:71]([N:72]([CH:73]([CH3:74])[CH3:75])[CH2:76][CH3:77])([CH3:78])[CH3:79].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14]([N:15]([c:16]2[cH:17][cH:18][c:19]([CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:20][cH:21]2)[CH2:28][c:29]2[cH:30][cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37]2)=[O:38])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:39])[F:40].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH2:85].[OH:41][n:42]1[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14]([N:15]([c:16]2[cH:17][cH:18][c:19]([CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:20][cH:21]2)[CH2:28][c:29]2[cH:30][cH:31][c:32]([C:33](=[O:34])[NH:68][CH2:67][CH:66]([C:65]([O:64][CH2:62][CH3:63])=[O:70])[OH:69])[cH:36][cH:37]2)=[O:38])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:39])[F:40]