HRID1545464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID136809

Benzophenone imine

C13H11N

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

HCID634876

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

C44H32P2

HCID46835755

tert-Butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

C13H17ClN2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2nc(N=C(c3ccccc3)c3ccccc3)ccc2C1

HCID58043757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5901ee9a50440cba4d998e1c787a212
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:79](=[O:80])([O-:81])[O-:82].[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:6][CH2:5]2.[Cs+:83].[Cs+:84].[O-:86][C:87]([CH3:88])=[O:89].[O-:90][C:91]([CH3:92])=[O:93].[Pd+2:85].[c:19]1([C:25](=[NH:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1.[cH:33]1[cH:34][cH:35][c:36]([P:37]([c:38]2[cH:39][cH:40][c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[c:47]2-[c:48]2[c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[cH:55][cH:56][c:57]2[P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78]1>>[c:2]1([N:26]=[C:25]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[n:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:6][CH2:5]2