HRID934456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID105144

Palladium(2+)

Pd+2

HCID641425

未命名化合物

结构：CC(=O)OCc1c(I)ccc(NC(=O)OC(C)(C)C)c1C

HCID53414707

{3-[(tert-Butoxycarbonyl)amino]-6-iodo-2-methylphenyl}methyl acetate

C15H20INO4

PRODUCTS

生成物

结构：COC(=O)C(=Cc1ccc(NC(=O)OC(C)(C)C)c(C)c1COC(C)=O)OC(=O)c1ccccc1

HCID67317651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f542ab36f0e48ca9fd7aa09b6fb51f0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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