HRID156418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID82693

5-Chloroindole-2-carboxylate

C9H6ClNO2

HCID105144

Palladium(2+)

Pd+2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：COc1ccc(S(=O)(=O)[O-])c(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID86314534

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc3[nH]c(C(=O)O)cc3c2)cc1

HCID11680565

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ba0e9ce5343473cbb7ddf509ee1bc64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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