HRID117647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc2c(c1)C(N)CCc1cc(OC)c(OC)c(OC)c1-2

HCID411019

未命名化合物

HCID14803047

4-[(Di-tert-butoxyphosphoryl)oxy]butanoic acid

C12H25O6P

PRODUCTS

生成物

结构：COc1ccc2c(c1)C(NC(=O)CCCOP(=O)(OC(C)(C)C)OC(C)(C)C)CCc1cc(OC)c(OC)c(OC)c1-2

HCID178487241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dd620a4c01b47bcbce17afbe0117771
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

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][P:30](=[O:31])([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[O:37][CH2:38][CH2:39][CH2:40][C:41](=[O:42])[OH:43].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:24]1)[CH:8]([NH2:23])[CH2:9][CH2:10][c:11]1[c:12]-2[c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:24]1)[CH:8]([NH:23][C:41]([CH2:40][CH2:39][CH2:38][O:37][P:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])(=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:42])[CH2:9][CH2:10][c:11]1[c:12]-2[c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]1