HRID688104

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

HCID7840

1-Bromopropane

C3H7Br

HCID19660

Carbonate

CO3-2

结构：COc1cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc(I)c1O

HCID15718033

未命名化合物

PRODUCTS

生成物

结构：CCCOc1c(I)cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC

HCID15718028

1-(3-Iodo-5-methoxy-4-propoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione

C23H27IO7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca36ed92da974f769e9ff71279f29bea
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

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