HRID837020

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

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

HCID57416128

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

C7H6BrN3S

PRODUCTS

生成物

结构：CSc1ncc2ccc(-c3ccc(S(C)(=O)=O)cc3)n2n1

HCID66712025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9070f5429c64704a7d82d52298f80bf
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

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:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH2:20]1[O:21][CH2:22][CH2:23][O:24][CH2:25]1.[CH3:38][S:39](=[O:40])(=[O:41])[c:42]1[cH:43][cH:44][c:45]([B:48]([OH:49])[OH:50])[cH:46][cH:47]1.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[Na+:56].[Na+:57].[O-:58][C:59](=[O:60])[O-:61].[OH2:62].[Pd+2:67].[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:45]2[cH:44][cH:43][c:42]([S:39]([CH3:38])(=[O:40])=[O:41])[cH:47][cH:46]2)[cH:28][cH:29][c:30]2[cH:31][n:32][c:33]([S:36][CH3:37])[n:34][n:35]12