HRID210653

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

HCID57416128

7-Bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine

C7H6BrN3S

PRODUCTS

生成物

HCID66711548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45eb2bd94ba5480e83f368a3ba08eda1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:26][c:27]1[cH:28][cH:29][c:30]2[cH:31][n:32][c:33]([S:36][CH3:37])[n:34][n:35]12.[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH2:20]1[O:21][CH2:22][CH2:23][O:24][CH2:25]1.[CH3:38][O:39][c:40]1[c:41]([B:46]([OH:47])[OH:48])[cH:42][cH:43][cH:44][cH:45]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59].[OH2:60].[Pd+2:65].[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:41]2[c:40]([O:39][CH3:38])[cH:45][cH:44][cH:43][cH:42]2)[cH:28][cH:29][c:30]2[cH:31][n:32][c:33]([S:36][CH3:37])[n:34][n:35]12