HRID195828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate Ion

CO3-2

HCID44248997

2-(3-Boronophenyl)-2-methylpropanoic acid

C10H13BO4

HCID57636004

未命名化合物

PRODUCTS

产物

HCID11669780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-26ec67cafd8041fcbc00beeed37113f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:21](=[O:22])([OH:23])[C:24]([CH3:25])([CH3:26])[c:27]1[cH:28][c:29]([B:33]([OH:34])[OH:35])[cH:30][cH:31][cH:32]1.[CH3:38][C:39]#[N:40].[Cl:1][c:2]1[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1.[ClH:37].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH2:36]>>[c:2]1(-[c:29]2[cH:28][c:27]([C:24]([C:21](=[O:22])[OH:23])([CH3:25])[CH3:26])[cH:32][cH:31][cH:30]2)[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1