HRID122147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

结构：CC(=O)Oc1c(C)c(C)c2c(c1C)C(=O)CC(C)(COc1ccc([N+](=O)[O-])cc1)O2

HCID11350483

2,5,7,8-TETRAMETHYL-2-(4-NITROPHENOXYMETHYL)-4-OXOCHROMAN-6-YL ACETATE

C22H23NO7

PRODUCTS

生成物

HCID15093830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2aa0a4ca2ad44ca8927dc1c64852355b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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