HRID1552118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

HCID11824027

Tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate

C15H21BrN2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1

HCID58985262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6705731ce1443279eb9625518acf7a9
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([Br:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:21](=[O:22])([O-:23])[O-:24].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[F:27][c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[Na+:25].[Na+:26].[OH2:42].[Pd:43]([Cl:44])[Cl:45].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17](-[c:31]3[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1