HRID121319

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

HCID996

Phenol

C6H6O

HCID1061

Phosphate

O4P-3

HCID105144

Palladium(2+)

Pd+2

反应SMILES：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1

HCID11618717

2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl

C29H45P

反应SMILES：COc1ncccc1-c1cc(Br)cc(C(C)(C)C)c1

HCID67070084

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ncccc1-c1cc(Oc2ccccc2)cc(C(C)(C)C)c1

HCID67069984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-74d5bb44adf8462e81120e685a89f62a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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