HRID2159922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID10908

tert-Butyl acetate

C6H12O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID3401206

3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid

C14H19NO4

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C

HCID53842409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c473c49ffa3e4acd8ec1593b58110615
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

[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][CH:12]([C:13]([CH3:14])([CH3:15])[CH3:16])[C:17](=[O:18])[OH:19].[C:20]([n:21]1[cH:22][cH:23][n:24][cH:25]1)([n:26]1[cH:27][cH:28][n:29][cH:30]1)=[O:31].[C:44]([CH3:45])(=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51].[CH2:32]([Li:33])[CH2:34][CH2:35][CH3:36].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH:37]([NH:38][CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[nH:52]1[cH:53][cH:54][n:55][cH:56]1>>[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][CH:12]([C:13]([CH3:14])([CH3:15])[CH3:16])[C:17](=[O:19])[CH2:45][C:44](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51]