HRID126338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID4564495

tert-Butyl 2-(dimethoxyphosphoryl)acetate

C8H17O5P

结构：CC(C)(C)OC(=O)N1C2CCC(NC(=O)OCc3ccccc3)C(C2)C1O

HCID69287294

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C=CC1CC(NC(=O)OC(C)(C)C)CCC1NC(=O)OCc1ccccc1

HCID178450925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96f5480f6a6148e29e3c7e4cd2cd491b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][C:25](=[O:26])[NH:27][CH:28]1[CH:29]2[CH:30]([OH:43])[N:31]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH:32]([CH2:33][CH2:34]1)[CH2:35]2.[CH3:3][O:4][P:5]([O:6][CH3:7])(=[O:8])[CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl-:44].[H-:2].[NH4+:45].[Na+:1].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[CH:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[CH:30][CH:29]1[CH:28]([NH:27][C:25]([O:24][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:26])[CH2:34][CH2:33][CH:32]([NH:31][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:35]1