HRID679884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1B(O)O

HCID15462268

{2-[(2,2-Dimethylpropoxy)carbonyl]-5-(trifluoromethyl)phenyl}boronic acid

C13H16BF3O4

HCID18431632

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCC(Cc1ccccc1)C2O

HCID69955564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-681e617385e346a49a4ba80b584d79b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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