HRID164890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

结构：COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(Br)n2n1

HCID66710919

7-Bromo-N-[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

C18H21BrN6O

PRODUCTS

生成物

结构：COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1

HCID54577897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86a6b3148d5a4db79354ba42dde4a6ae
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:26][c:27]1[cH:28][cH:29][c:30]2[cH:31][n:32][c:33]([NH:36][c:37]3[c:38]([O:50][CH3:51])[cH:39][c:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[cH:41][cH:42]3)[n:34][n:35]12.[C:75]([O-:76])(=[O:77])[CH3:78].[C:80]([O-:81])(=[O:82])[CH3:83].[CH2:20]1[O:21][CH2:22][CH2:23][O:24][CH2:25]1.[CH3:52][O:53][c:54]1[c:55]([B:60]([OH:61])[OH:62])[cH:56][cH:57][cH:58][cH:59]1.[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Na+:68].[Na+:69].[O-:70][C:71](=[O:72])[O-:73].[OH2:74].[Pd+2:79].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:27]1(-[c:55]2[c:54]([O:53][CH3:52])[cH:59][cH:58][cH:57][cH:56]2)[cH:28][cH:29][c:30]2[cH:31][n:32][c:33]([NH:36][c:37]3[c:38]([O:50][CH3:51])[cH:39][c:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[cH:41][cH:42]3)[n:34][n:35]12