HRID1126380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID4574913

未命名化合物

结构：CN(C)S(=O)(=O)n1cc(CC(C)(C)C)nc1C(=O)Cc1ccc(Br)cc1

HCID59140397

未命名化合物

HCID136027675

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)n1cc(CC(C)(C)C)nc1C(=O)Cc1ccc(N2CCCc3cnn(COCC[Si](C)(C)C)c32)cc1

HCID66705651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7539444ea2624f98bb258334004892aa
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[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[c:11]2[n:12]([S:21](=[O:22])(=[O:23])[N:24]([CH3:25])[CH3:26])[cH:13][c:14]([CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])[n:15]2)[cH:6][cH:7]1.[CH2:75]1[O:76][CH2:77][CH2:78][O:79][CH2:80]1.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:33][Si:34]([CH2:35][CH2:36][O:37][CH2:38][n:39]1[n:40][cH:41][c:42]2[c:43]1[NH:44][CH2:45][CH2:46][CH2:47]2)([CH3:48])[CH3:49].[CH:50]1([P:51]([CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2-[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1.[Na+:32].[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[OH2:81].[Pd+2:82]>>[c:2]1([N:44]2[c:43]3[n:39]([CH2:38][O:37][CH2:36][CH2:35][Si:34]([CH3:33])([CH3:48])[CH3:49])[n:40][cH:41][c:42]3[CH2:47][CH2:46][CH2:45]2)[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[c:11]2[n:12]([S:21](=[O:22])(=[O:23])[N:24]([CH3:25])[CH3:26])[cH:13][c:14]([CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])[n:15]2)[cH:6][cH:7]1