HRID1217504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID520075

ethenesulfonamide

C2H5NO2S

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(Br)cc1OCC2

HCID58204313

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C=CS(N)(=O)=O)cc1OCC2

HCID67050680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67d140a9d99e4fd392f850e3aa4dbbd0
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

[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH:24](=[CH2:25])[S:26](=[O:27])(=[O:28])[NH2:29].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[Pd+2:64].[c:37]1([CH3:38])[cH:39][cH:40][cH:41][cH:42][c:43]1[P:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1[CH3:51])[c:52]1[cH:53][cH:54][cH:55][cH:56][c:57]1[CH3:58]>>[c:2]1([CH:25]=[CH:24][S:26](=[O:27])(=[O:28])[NH2:29])[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2