HRID678978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID68579943

未命名化合物

HCID68579948

未命名化合物

PRODUCTS

生成物

结构：CCCOc1cc(C)c(C(=O)OC)c(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c1

HCID59263296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa057ed48fe54b7e89f9fd95d0bde9b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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