HRID142656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID24834

p-Ethoxybenzaldehyde

C9H10O2

HCID28123

Tetrahydroborate

H4B-

HCID61017

tert-Octylamine

C8H19N

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID18433750

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(C=[N+]([O-])C(C)(C)CC(C)(C)C)cc1

HCID86587909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29c91cedaad14a198605ae50d8863832
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BH4-:30].[C:43]([NH2:44])([CH2:45][C:46]([CH3:47])([CH3:48])[CH3:49])([CH3:50])[CH3:51].[CH2:1]([O:2][c:3]1[cH:4][cH:5][c:6]([NH:10][C:11]([CH3:12])([CH3:13])[CH2:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:7][cH:8]1)[CH3:9].[CH2:32]([CH3:33])[O:34][c:35]1[cH:36][cH:37][c:38]([CH:39]=[O:40])[cH:41][cH:42]1.[CH2:52]([Cl:53])[Cl:54].[CH3:55][OH:56].[Cl:19][c:20]1[cH:21][c:22]([C:27](=[O:24])[O:28][OH:29])[cH:23][cH:25][cH:26]1.[Na+:31]>>[N+:10]([C:11]([CH3:12])([CH3:13])[CH2:14][C:15]([CH3:16])([CH3:17])[CH3:18])([O-:24])=[CH:39][c:38]1[cH:37][cH:36][c:35]([O:34][CH2:32][CH3:33])[cH:42][cH:41]1