HRID1566722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID137860

6-Methylnicotinic acid

C7H7NO2

结构：COc1cc(O)ccc1-c1ccc2c(c1COC(=O)c1ccc(C)s1)C(C)=CC(C)(C)N2

HCID25015624

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC(=O)c2ccc(C)nc2)ccc1-c1ccc2c(c1COC(=O)c1ccc(C)s1)C(C)=CC(C)(C)N2

HCID24891336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a146217983084a179ee3c4dd3769c4ae
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

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