HRID295661

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

HCID105144

Palladium(2+)

Pd+2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

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

HCID11672680

2-chloro-3,5-dimethylpyrazine

C6H7ClN2

PRODUCTS

生成物

结构：Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1

HCID67380950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2639fba622004c529bcea9f305bd9f39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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