HRID1134128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

结构：c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID81219

Phosphine, 1,3-propanediylbis[diphenyl-

C27H26P2

HCID105144

Palladium(2+)

Pd+2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(Br)C1=O

HCID18385727

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC(C)(C)C2=O)cc1

HCID18385597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81ac40deb0a649b18a2bdc4dde1fbf3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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