HRID200380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1ccc2cc(-c3ccc(OCc4c(C5CCCC5)noc4C4CCCC4)cc3)ccc2n1

HCID59321530

Methyl 6-(4-{[(3,5-dicyclopentyl-4-isoxazolyl)methyl]oxy}phenyl)-2-quinolinecarboxylate

C31H32N2O4

PRODUCTS

生成物

结构：O=C(O)c1ccc2cc(-c3ccc(OCc4c(C5CCCC5)noc4C4CCCC4)cc3)ccc2n1

HCID59321518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-244b9602d9944ae59cbe6fa6756db93a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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