HRID177894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

结构：C=C(Cc1ccc(NC(=O)OC(C)(C)C)nc1)C(=O)OCC

HCID54494317

Ethyl 6-[[(1,1-dimethylethoxy)carbonyl]amino]-α-methylene-3-pyridinepropanoate

C16H22N2O4

HCID178527054

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(NC(=O)OC(C)(C)C)nc1)CP(=O)(O)CCCc1ccccc1

HCID54196772

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4776b40f3b1748178f718a7e773e5941
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

[CH2:13]([CH3:14])[O:15][C:16]([C:17](=[CH2:18])[CH2:19][c:20]1[cH:21][n:22][c:23]([NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:24][cH:25]1)=[O:34].[CH3:35][C:36]#[N:37].[c:1]1([CH2:7][CH2:8][CH2:9][PH:10]([OH:11])=[O:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][P:10]([OH:11])(=[O:12])[CH2:18][CH:17]([C:16]([O:15][CH2:13][CH3:14])=[O:34])[CH2:19][c:20]2[cH:21][n:22][c:23]([NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:24][cH:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1