HRID2137562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID79341

Piperidin-4-ol

C5H11NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)ccc32)C=C1c1ccc(C(=O)O)cc1

HCID69447003

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)ccc32)C=C1c1ccc(C(=O)N2CCC(O)CC2)cc1

HCID69412228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44b13d05600a4b109582a14329ea40f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]2=[C:12]1[CH:13]=[C:14]([c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]2)[C:15]([CH3:17])([CH3:18])[O:16]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:44].[OH:28][CH:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]2=[C:12]1[CH:13]=[C:14]([c:19]2[cH:20][cH:21][c:22]([C:23](=[O:25])[N:32]3[CH2:31][CH2:30][CH:29]([OH:28])[CH2:34][CH2:33]3)[cH:26][cH:27]2)[C:15]([CH3:17])([CH3:18])[O:16]1