HRID189412

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

HCID98644

N-Acetyldehydroalanine methyl ester

C6H9NO3

HCID105144

Palladium(2+)

Pd+2

HCID11111864

Carbamic acid, [2-(5-cyano-2-iodophenoxy)ethyl]-, 1,1-dimethylethyl ester

C14H17IN2O3

PRODUCTS

生成物

结构：COC(=O)C(=Cc1ccc(C#N)cc1OCCNC(=O)OC(C)(C)C)NC(C)=O

HCID68833044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e03ade50fb84fa89cfa46345520994a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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