HRID190536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID412306

未命名化合物

HCID4770101

3-iodo-5-methoxy-4-propoxybenzaldehyde

C11H13IO3

HCID178511850

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-ec140a3d6e024c86a2c5a45aaadeb037
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

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