HRID189830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C=Cc1cn(Cc2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1

HCID91406514

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2nn(Cc3ccccc3)cc2C=CC(=O)O)ccc1OCc1nc(-c2ccco2)oc1C

HCID69216970

3-[1-Benzyl-3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]pyrazol-4-yl]prop-2-enoic acid

C30H27N3O7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c28989bfb37443fa2cff6a9e0ffd8d1
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]([O:20][CH2:21][c:22]2[cH:23][c:24]([O:41][CH3:42])[c:25]([O:28][CH2:29][c:30]3[n:31][c:32](-[c:36]4[o:37][cH:38][cH:39][cH:40]4)[o:33][c:34]3[CH3:35])[cH:26][cH:27]2)[c:11]([CH:13]=[CH:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:12]1.[CH3:52][CH2:53][OH:54].[ClH:50].[Na+:49].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:48].[OH2:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]([O:20][CH2:21][c:22]2[cH:23][c:24]([O:41][CH3:42])[c:25]([O:28][CH2:29][c:30]3[n:31][c:32](-[c:36]4[o:37][cH:38][cH:39][cH:40]4)[o:33][c:34]3[CH3:35])[cH:26][cH:27]2)[c:11]([CH:13]=[CH:14][C:15](=[O:16])[OH:17])[cH:12]1