HRID1564295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID28123

Tetrahydroborate

H4B-

反应SMILES：COc1ccc(CC(C(CCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)OC(C)=O)[N+](=O)[O-])cc1OC

HCID13745755

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(CC(CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)[N+](=O)[O-])cc1OC

HCID13745756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-215031a1b8474890be32560ef8ff0ea7
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-:39].[C:1]([O:2][CH:5]([CH:6]([CH2:7][c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[N+:18](=[O:19])[O-:20])[CH2:21][CH2:22][C:23]([c:24]1[cH:25][c:26]([O:32][CH3:33])[c:27]([O:30][CH3:31])[cH:28][cH:29]1)([CH:34]([CH3:35])[CH3:36])[C:37]#[N:38])(=[O:3])[CH3:4].[CH3:41][CH:42]([OH:43])[CH3:44].[Na+:40]>>[CH2:5]([CH:6]([CH2:7][c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[N+:18](=[O:19])[O-:20])[CH2:21][CH2:22][C:23]([c:24]1[cH:25][c:26]([O:32][CH3:33])[c:27]([O:30][CH3:31])[cH:28][cH:29]1)([CH:34]([CH3:35])[CH3:36])[C:37]#[N:38]