HRID1210502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

结构：CC(Oc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N)c1c(Cl)ccc(F)c1Cl

HCID21111394

未命名化合物

HCID45480278

tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate

C13H20BrN3O2

PRODUCTS

生成物

结构：CC(Oc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

HCID58659146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55794e3a336743169e41cfacf7349ffe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[N:36]1[CH2:37][CH2:38][CH:39]([n:42]2[n:43][cH:44][c:45]([Br:47])[cH:46]2)[CH2:40][CH2:41]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[Cl:1][c:2]1[c:3]([CH:10]([CH3:11])[O:12][c:13]2[c:14]([NH2:28])[n:15][cH:16][c:17]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[cH:18]2)[c:4]([Cl:9])[cH:5][cH:6][c:7]1[F:8].[Na+:52].[Na+:53].[OH2:60].[Pd:61]([Cl:62])[Cl:63].[c:64]1([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)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[Cl:1][c:2]1[c:3]([CH:10]([CH3:11])[O:12][c:13]2[c:14]([NH2:28])[n:15][cH:16][c:17](-[c:45]3[cH:44][n:43][n:42]([CH:39]4[CH2:38][CH2:37][N:36]([C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH2:41][CH2:40]4)[cH:46]3)[cH:18]2)[c:4]([Cl:9])[cH:5][cH:6][c:7]1[F:8]