HRID2159199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2735765

3-(chloromethyl)-1,2,4-oxadiazole

C3H3ClN2O

HCID178489015

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc(OCc3ncon3)nn2-c2ccc(OC)cc2)cc1

HCID10199702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6df9b871a69a44a788c55f7b23693cc1
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

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