HRID1536937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(Cl)cc12

HCID46835581

tert-Butyl 5-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate

C17H23ClN2O2

HCID72353503

未命名化合物

PRODUCTS

生成物

结构：CC1CCc2ncnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)c4cc(Cl)ccc43)c21

HCID68761289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b90e6ea7a353409994c5470d59008eae
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:76](=[O:77])([O-:78])[O-:79].[CH3:1][C:2]1([CH3:3])[c:4]2[cH:5][cH:6][cH:7][c:8]([P:9]([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[O:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][c:29]2[P:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:82][CH2:83][O:84][C:85]([CH3:86])=[O:87].[CH3:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Cl:43][c:44]1[c:45]2[c:46]([n:47][cH:48][n:49]1)[CH2:50][CH2:51][CH:52]2[CH3:53].[Cl:54][c:55]1[cH:56][c:57]2[c:61]([cH:62][cH:63]1)[NH:60][CH2:59][C:58]21[CH2:64][CH2:65][N:66]([C:69](=[O:70])[O:71][C:72]([CH3:73])([CH3:74])[CH3:75])[CH2:67][CH2:68]1.[Cs+:80].[Cs+:81].[O-:89][C:90]([CH3:91])=[O:92].[O-:93][C:94]([CH3:95])=[O:96].[Pd+2:88]>>[c:44]1([N:60]2[CH2:59][C:58]3([c:57]4[cH:56][c:55]([Cl:54])[cH:63][cH:62][c:61]42)[CH2:64][CH2:65][N:66]([C:69](=[O:70])[O:71][C:72]([CH3:73])([CH3:74])[CH3:75])[CH2:67][CH2:68]3)[c:45]2[c:46]([n:47][cH:48][n:49]1)[CH2:50][CH2:51][CH:52]2[CH3:53]