HRID2159912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID98644

N-Acetyldehydroalanine methyl ester

C6H9NO3

HCID105144

Palladium(2+)

Pd+2

结构：O=C1CN(c2ccc(I)cc2OCc2ccccc2)S(=O)(=O)N1

HCID68838643

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=Cc1ccc(N2CC(=O)NS2(=O)=O)c(OCc2ccccc2)c1)NC(C)=O

HCID68838968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c7d0cb484584f87bd6a2ba3bee512f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([N:16]2[CH2:17][C:18](=[O:23])[NH:19][S:20]2(=[O:21])=[O:22])[cH:11][cH:12][c:13]([I:15])[cH:14]1.[CH3:24][O:25][C:26]([C:27](=[CH2:28])[NH:29][C:30]([CH3:31])=[O:32])=[O:33].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][C:42]#[N:43].[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[Pd+2:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([N:16]2[CH2:17][C:18](=[O:23])[NH:19][S:20]2(=[O:21])=[O:22])[cH:11][cH:12][c:13]([CH:28]=[C:27]([C:26]([O:25][CH3:24])=[O:33])[NH:29][C:30]([CH3:31])=[O:32])[cH:14]1