HRID1546390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

HCID80222

3-Acetylbenzonitrile

C9H7NO

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

HCID10944016

1-(2-isopropoxyphenyl)piperazine

C13H20N2O

PRODUCTS

生成物

结构：CC(C)Oc1ccccc1N1CCN(C(C)c2cccc(C#N)c2)CC1

HCID10521779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65aa904448fe4fe995a637a6bf39bb6b
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

[BH4-:28].[C:17]([CH3:18])(=[O:19])[c:20]1[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27]1.[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10]1.[CH3:30][CH:31]([CH3:32])[O-:33].[CH3:35][CH:36]([CH3:37])[O-:38].[CH3:39][CH:40]([CH3:41])[O-:42].[CH3:43][CH:44]([CH3:45])[O-:46].[CH3:47][OH:48].[Na+:29].[Ti+4:34]>>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([CH:17]([CH3:18])[c:20]3[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27]3)[CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10]1