HRID1143578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID520987

7-Phenylheptanoic acid

C13H18O2

HCID178471612

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=CC(Cc1c[nH]cn1)NC(=O)CCCCCCc1ccccc1

HCID178471313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c553156c9aa8415385b248db1eae9e98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:25]([CH3:26])[O:27][C:28]([CH:29]=[CH:30][CH:31]([CH2:32][c:33]1[n:34][cH:35][nH:36][cH:37]1)[NH2:38])=[O:39].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13](=[O:14])[OH:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13](=[O:15])[NH:38][CH:31]([CH:30]=[CH:29][C:28]([O:27][CH2:25][CH3:26])=[O:39])[CH2:32][c:33]2[n:34][cH:35][nH:36][cH:37]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1