HRID1139074

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

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

反应SMILES：COc1c(B(O)O)cc(C(C)(C)C)cc1C(C)(C)C

HCID15405941

未命名化合物

HCID45925951

2,8-Dibromoquinoline

C9H5Br2N

PRODUCTS

产物

反应SMILES：COc1c(-c2ccc3cccc(Br)c3n2)cc(C(C)(C)C)cc1C(C)(C)C

HCID58114887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3b8896b328ab43798941dc42da80ff8c
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[n:3][c:4]2[c:5]([Br:12])[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11]1.[C:13]([CH3:14])([CH3:15])([CH3:16])[c:17]1[c:18]([O:30][CH3:31])[c:19]([B:27]([OH:28])[OH:29])[cH:20][c:21]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:22]1.[CH2:38]([CH2:39][O:40][CH3:41])[O:42][CH3:43].[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[OH2:53].[Pd+2:44]>>[c:2]1(-[c:19]2[c:18]([O:30][CH3:31])[c:17]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:22][c:21]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:20]2)[n:3][c:4]2[c:5]([Br:12])[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11]1