HRID2127683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID12982400

未命名化合物

结构：COc1cc(-n2cnc(Cl)cc2=O)ccc1OCC(C)(C)O

HCID58579916

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2cnc(C3CC3c3ccccc3)cc2=O)ccc1OCC(C)(C)O

HCID58579841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6171d320779e40c5b4042561e0a4ed70
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

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