HRID300050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID32051

Zinc (II) cation

Zn+2

HCID75006

2,3,4-Trimethoxybenzaldehyde

C10H12O4

HCID498716

未命名化合物

反应SMILES：CCCc1ccc(N2CCNCC2)c(S(=O)(=O)O)c1

HCID3027313

未命名化合物

PRODUCTS

产物

反应SMILES：CCCc1ccc(N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c(S(=O)(=O)O)c1

HCID10322212

5-Propyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]benzenesulfonic acid

C23H32N2O6S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-24994b3d9849437fa33b7ae70354c6f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:1]([BH3-:2])#[N:3].[CH3:24][O:25][c:26]1[c:27]([CH:28]=[O:29])[cH:30][cH:31][c:32]([O:36][CH3:37])[c:33]1[O:34][CH3:35].[CH3:38][OH:39].[Cl-:40].[Cl-:42].[N:5]1([c:11]2[c:12]([S:20](=[O:21])(=[O:22])[OH:23])[cH:13][c:14]([CH2:17][CH2:18][CH3:19])[cH:15][cH:16]2)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[Na+:4].[Zn+2:41]>>[N:5]1([c:11]2[c:12]([S:20](=[O:21])(=[O:22])[OH:23])[cH:13][c:14]([CH2:17][CH2:18][CH3:19])[cH:15][cH:16]2)[CH2:6][CH2:7][N:8]([CH2:28][c:27]2[c:26]([O:25][CH3:24])[c:33]([O:34][CH3:35])[c:32]([O:36][CH3:37])[cH:31][cH:30]2)[CH2:9][CH2:10]1