HRID1553632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID12878163

Methyl 8-aminooctanoate

C9H19NO2

结构：O=C1Nc2ccc(F)cc2C1=NN=Cc1ccc(C(=O)O)cc1

HCID136387977

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCCCCCNC(=O)c1ccc(C=NN=C2C(=O)Nc3ccc(F)cc32)cc1

HCID136387981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da0bafaebf234796bf5da56b8931319f
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

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