HRID296493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID2735743

2-chloro-3-iodopyridine

C5H3ClIN

PRODUCTS

生成物

HCID59321836

1,1-Dimethylethyl 4-(2-chloro-3-pyridinyl)-1-piperazinecarboxylate

C14H20ClN3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5da400bbad24e11bc15d3dbbf40415c
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:75](=[O:76])([O-:77])[O-:78].[C:88]([O-:89])(=[O:90])[CH3:91].[C:93]([O-:94])(=[O:95])[CH3:96].[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[I:8].[Cs+:79].[Cs+:80].[Pd+2:92].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[c:39]2-[c:40]2[c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48][c:49]2[P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[N:19]1[CH2:18][CH2:17][N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:21][CH2:20]1