HRID156499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

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

HCID4574913

未命名化合物

HCID4646436

2-(4-Bromophenoxy)tetrahydro-2H-pyran

C11H13BrO2

HCID23081170

1-[4-(Trifluoromethoxy)phenyl]piperazine

C11H13F3N2O

PRODUCTS

生成物

结构：FC(F)(F)Oc1ccc(N2CCN(c3ccc(OC4CCCCO4)cc3)CC2)cc1

HCID23081199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a82072c8b127418a9b7c81540a2bef14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:18][c:19]1[cH:20][cH:21][c:22]([O:23][CH:24]2[O:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:30][cH:31]1.[C:91]([O-:92])(=[O:93])[CH3:94].[C:96]([O-:97])(=[O:98])[CH3:99].[CH3:101][CH2:102][O:103][C:104](=[O:105])[CH3:106].[CH3:78][C:79]([CH3:80])([O-:81])[CH3:82].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:8][cH:9]1)([F:16])[F:17].[Na+:83].[OH2:100].[Pd+2:95].[cH:32]1[cH:33][cH:34][c:35]([P:36]([c:37]2[cH:38][cH:39][c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[c:46]2-[c:47]2[c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[cH:54][cH:55][c:56]2[P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77]1>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][N:13]([c:19]3[cH:20][cH:21][c:22]([O:23][CH:24]4[O:25][CH2:26][CH2:27][CH2:28][CH2:29]4)[cH:30][cH:31]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1)([F:16])[F:17]