HRID301103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6331

Borane

H3B

HCID6425

2,3-Butanediol, 2,3-dimethyl-

C6H14O2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID123538

3-Bromo-o-toluidine

C7H8BrN

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

PRODUCTS

生成物

HCID46738005

2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C13H20BNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-775b4677e89741bd95b2a659fc391ad2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH3:42].[Br:1][c:2]1[c:3]([CH3:9])[c:4]([NH2:5])[cH:6][cH:7][cH:8]1.[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:17]1([P:18]([CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[OH:50].[Pd+2:63]>>[c:2]1([B:42]2[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]2)[c:3]([CH3:9])[c:4]([NH2:5])[cH:6][cH:7][cH:8]1