HRID120405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6560

2-Methyl-1-propanol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：CC(C(=O)NC(c1ccc(O)cc1)C1CCCN1C(=O)OC(C)(C)C)c1ccccc1

HCID77292191

未命名化合物

PRODUCTS

生成物

结构：CC(C)COc1ccc(C(NC(=O)C(C)c2ccccc2)C2CCCN2C(=O)OC(C)(C)C)cc1

HCID123438169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfb40dbb78ed4014a973cc056693ecde
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

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