HRID2137450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)CNCCc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1

HCID66676715

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cc(CCNCC(=O)O)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID66676905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e50d5d682aa7406e8624c6667710eae8
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

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