HRID1537468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7726

4-Chlorobenzaldehyde

C7H5ClO

HCID11460

3-Methoxyacetophenone

C9H10O2

HCID114942

Titanium(4+)

Ti+4

HCID498716

未命名化合物

HCID3260420

未命名化合物

4 次

HCID6485772

3-(4-chlorophenyl)propan-1-amine

C9H12ClN

PRODUCTS

生成物

HCID22011071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb01df477f114a9288b9cbcc0cddbede
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:32]([BH3-:33])#[N:34].[CH3:21][O:22][c:23]1[cH:24][c:25]([C:29]([CH3:30])=[O:31])[cH:26][cH:27][cH:28]1.[CH3:36][CH:37]([CH3:38])[O-:39].[CH3:41][CH:42]([CH3:43])[O-:44].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:49][CH:50]([CH3:51])[O-:52].[Cl:12][c:13]1[cH:14][cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][NH2:11])[cH:6][cH:7]1.[Na+:35].[Ti+4:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][NH:11][CH:29]([c:25]2[cH:24][c:23]([O:22][CH3:21])[cH:28][cH:27][cH:26]2)[CH3:30])[cH:6][cH:7]1