HRID2152825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID2734354

(2-Fluorophenyl)boronato(2-)

C6H6BFO2

结构：CC(O)c1ccccc1S(=O)(=O)c1ccc2cc(Br)ccc2c1

HCID178466206

未命名化合物

PRODUCTS

生成物

结构：CC(O)c1ccccc1S(=O)(=O)c1ccc2cc(-c3ccccc3F)ccc2c1

HCID178466207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fe3dfd2d0654e66bd640e8e6ab80617
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[c:15]3[c:16]([CH:21]([CH3:22])[OH:23])[cH:17][cH:18][cH:19][cH:20]3)[cH:8][c:9]2[cH:10][cH:11]1.[CH3:62][O:63][CH2:64][CH2:65][O:66][CH3:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[F:24][c:25]1[c:26]([B:31]([OH:32])[OH:33])[cH:27][cH:28][cH:29][cH:30]1.[Na+:56].[Na+:57].[O-:58][C:59](=[O:60])[O-:61].[O-:75][C:76]([CH3:77])=[O:78].[O-:79][C:80]([CH3:81])=[O:82].[OH2:83].[Pd+2:74].[c:34]1([CH3:35])[cH:36][cH:37][cH:38][cH:39][c:40]1[P:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1[CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][c:54]1[CH3:55]>>[c:2]1(-[c:26]2[c:25]([F:24])[cH:30][cH:29][cH:28][cH:27]2)[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[c:15]3[c:16]([CH:21]([CH3:22])[OH:23])[cH:17][cH:18][cH:19][cH:20]3)[cH:8][c:9]2[cH:10][cH:11]1