HRID1149476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID7095

Biphenyl

C12H10

HCID8028

Tetrahydrofuran

C4H8O

HCID13239

Phosphine, dicyclohexyl-

C12H23P

HCID19660

Carbonate

CO3-2

HCID28179

Fluoride

F-

HCID79799

p-Tolueneboronic acid

C7H9BO2

HCID105144

Palladium(2+)

Pd+2

结构：O=C(NC1CCC(OCC(Br)=Cc2ccccc2)C1)OCc1ccccc1

HCID72432555

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=Cc2ccccc2)COC2CCC(NC(=O)OCc3ccccc3)C2)cc1

HCID69275964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14cd67ce40f74358937ce6ed1a4e328a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:71]([O-:72])(=[O:73])[CH3:74].[C:76]([O-:77])(=[O:78])[CH3:79].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]1[CH2:12][CH:13]([O:16][CH2:17][C:18](=[CH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[Br:26])[CH2:14][CH2:15]1)=[O:27].[CH:38]1([PH:39][CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[F-:63].[K+:64].[Na+:65].[Na+:66].[O-:67][C:68](=[O:69])[O-:70].[O:80]1[CH2:81][CH2:82][CH2:83][CH2:84]1.[Pd+2:75].[c:28]1([CH3:37])[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[c:51]1(-[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]1[CH2:12][CH:13]([O:16][CH2:17][C:18](=[CH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:31]2[cH:30][cH:29][c:28]([CH3:37])[cH:33][cH:32]2)[CH2:14][CH2:15]1)=[O:27]