HRID210532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID5076491

4-(Chloromethyl)-5-methyl-2-(thiophen-2-yl)-1,3-oxazole

C9H8ClNOS

结构：CCOC(=O)CCc1cn(Cc2ccc(O)c(OC)c2)nc1OCC

HCID23021924

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4cccs4)oc3C)c(OC)c2)nc1OCC

HCID69422233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9da65b5bb3b5453b9bcbeb71a93b1e8a
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]([CH3:2])[O:3][c:4]1[n:5][n:6]([CH2:16][c:17]2[cH:18][c:19]([O:24][CH3:25])[c:20]([OH:23])[cH:21][cH:22]2)[cH:7][c:8]1[CH2:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cl:28][CH2:29][c:30]1[n:31][c:32](-[c:36]2[s:37][cH:38][cH:39][cH:40]2)[o:33][c:34]1[CH3:35].[H-:26].[Na+:27].[OH2:41]>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][n:6]([CH2:16][c:17]2[cH:18][c:19]([O:24][CH3:25])[c:20]([O:23][CH2:29][c:30]3[n:31][c:32](-[c:36]4[s:37][cH:38][cH:39][cH:40]4)[o:33][c:34]3[CH3:35])[cH:21][cH:22]2)[cH:7][c:8]1[CH2:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15]