HRID2163065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6386

tert-Butyl alcohol

C4H10O

结构：COC(=O)CC(C)N1CCN(C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)C(CC(C)C)C1=O

HCID18682370

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCN(C(C)CC(=O)O)C(=O)C2CC(C)C)cc1

HCID18313857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6e24b55c31046f9ba59e4d9ff34d420
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

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