HRID301803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8900

Heptane

C7H16

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

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

HCID634876

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

C44H32P2

HCID11367346

5-Morpholinopyridin-2-amine

C9H13N3O

HCID58315432

2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

C14H17ClN4O

PRODUCTS

生成物

结构：CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCOCC4)cn3)nc2n1C1CCCC1

HCID58315422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00ad2f49770b4926bd4a2de152293506
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:80](=[O:81])([O-:82])[O-:83].[CH3:101][CH2:102][CH2:103][CH2:104][CH2:105][CH2:106][CH3:107].[CH3:14][N:15]([C:16](=[O:17])[c:18]1[cH:19][c:20]2[c:21]([n:22][c:23]([Cl:26])[n:24][cH:25]2)[n:27]1[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1)[CH3:33].[Cs+:84].[Cs+:85].[O-:93][C:94]([CH3:95])=[O:96].[O-:97][C:98]([CH3:99])=[O:100].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH2:13])[n:11][cH:12]2)[CH2:5][CH2:6]1.[O:86]1[CH2:87][CH2:88][O:89][CH2:90][CH2:91]1.[Pd+2:92].[cH:34]1[cH:35][cH:36][c:37]([P:38]([c:39]2[cH:40][cH:41][c:42]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[c:48]2-[c:49]2[c:50]3[c:51]([cH:52][cH:53][cH:54][cH:55]3)[cH:56][cH:57][c:58]2[P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][c:23]3[n:22][c:21]4[c:20]([cH:19][c:18]([C:16]([N:15]([CH3:14])[CH3:33])=[O:17])[n:27]4[CH:28]4[CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:25][n:24]3)[n:11][cH:12]2)[CH2:5][CH2:6]1