HRID199834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID68503

4-Bromo-m-xylene

C8H9Br

HCID105144

Palladium(2+)

Pd+2

HCID2756810

tert-Butyl 3-methylpiperazine-1-carboxylate

C10H20N2O2

HCID4574913

未命名化合物

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

PRODUCTS

生成物

结构：Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2C)c(C)c1

HCID67381070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f3962c0f30e40589e756e2c739ba7df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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