HRID1135124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1nccs1

HCID2763259

2-(Tributylstannyl)thiazole

C15H29NSSn

结构：COc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)sc2Br)cc1

HCID59402658

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420552

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)sc2-c2nccs2)cc1

HCID59402708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2de911d3a3464150ac7ecba12408893b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3](-[c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:4][c:5]([CH2:7][O:8][c:9]2[c:10]([F:19])[c:11]([C:12](=[O:13])[NH2:14])[c:15]([F:18])[cH:16][cH:17]2)[s:6]1.[CH2:28]([Sn:29]([CH2:30][CH2:31][CH2:32][CH3:38])([c:33]1[s:34][cH:35][cH:36][n:37]1)[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46].[Pd:52].[c:53]1([PH:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[c:2]1(-[c:33]2[s:34][cH:35][cH:36][n:37]2)[c:3](-[c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:4][c:5]([CH2:7][O:8][c:9]2[c:10]([F:19])[c:11]([C:12](=[O:13])[NH2:14])[c:15]([F:18])[cH:16][cH:17]2)[s:6]1