HRID114219

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

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

HCID634876

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

C44H32P2

结构：O=C(N1CCc2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c2CC1)C(F)(F)F

HCID57447747

未命名化合物

HCID57656140

未命名化合物

PRODUCTS

生成物

结构：CCC(C)Cc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

HCID86629691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4330f9f706f4819b725e5ed0e253261
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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