HRID306375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6331

Borane

H3B

HCID6425

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

C6H14O2

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID14263946

Methyl 2-iodo-5-methylbenzoate

C9H9IO2

PRODUCTS

生成物

结构：COC(=O)c1cc(C)ccc1B1OC(C)(C)C(C)(C)O1

HCID46856403

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

C15H21BO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b5104fb3f934338b949f2a19f5e8981
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

[BH3:20].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[Cl-:51].[I:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([CH3:12])[cH:10][cH:11]1.[NH4+:52].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[OH2:62].[OH:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[OH:28].[Pd+2:53].[c:29]1([CH3:30])[cH:31][cH:32][cH:33][cH:34][c:35]1[P:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH3:50]>>[c:2]1([B:20]2[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]2)[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([CH3:12])[cH:10][cH:11]1