HRID1562777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID2775536

4,4,4-trifluoro-2-methylbutanoic acid

C5H7F3O2

HCID66849322

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)C(C)CC(F)(F)F)CC2)nn1

HCID86597225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5388ecaa11404a9e9894ba7dbd68256e
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

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