HRID1546043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6375

Nitromethane

CH3NO2

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID28123

Tetrahydroborate

H4B-

HCID28486

Lithium ion

Li+

HCID3826051

未命名化合物

HCID54415954

未命名化合物

PRODUCTS

生成物

HCID57626337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2059489c69a41f4b41b774d653ed785
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-:37].[CH3:16][O-:17].[CH3:23][C:24]([O:25][C:26](=[O:27])[CH3:28])=[O:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:46][C:47](=[O:48])[OH:49].[CH3:50][S:51](=[O:52])[CH3:53].[CH3:54][OH:55].[Li+:18].[N+:19](=[O:20])([O-:21])[CH3:22].[Na+:38].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([CH:14]=[O:15])[n:12][cH:13]1.[OH2:45]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:22][N+:19](=[O:20])[O-:21])[n:12][cH:13]1