HRID161225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6331

Borane

H3B

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID6495

2,2-Dimethoxypropane

C5H12O2

HCID8058

Hexane

C6H14

HCID8857

Ethyl Acetate

C4H8O2

HCID66793

4-Methoxy-2-nitroaniline

C7H8N2O3

HCID67769

4-Fluoro-2-nitroaniline

C6H5FN2O2

PRODUCTS

产物

HCID10750935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a8e44ef1d1d04d2d859bca885b55bd70
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

[BH3:27].[CH3:13][O:14][C:15]([CH3:16])([CH3:17])[O:18][CH3:19].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH2:7])[c:8]([N+:10]([O-:11])=[O:12])[cH:9]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[F:28][c:29]1[cH:30][cH:31][c:32]([NH2:33])[c:34]([N+:35]([O-:36])=[O:37])[cH:38]1.[OH:20][C:21]([C:22]([F:23])([F:24])[F:25])=[O:26].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][CH:15]([CH3:16])[CH3:17])[c:8]([N+:10]([O-:11])=[O:12])[cH:9]1