HRID2316154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)C(Cc1cc(Cl)c(N)c(C(F)(F)F)c1)NC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

HCID22184546

未命名化合物

PRODUCTS

生成物

结构：Nc1c(Cl)cc(CC(NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID22184605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-924bb9a625ba46cf97c21e2a6162b0c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:43][CH2:44][OH:45].[NH2:1][c:2]1[c:3]([Cl:40])[cH:4][c:5]([CH2:12][CH:13]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[NH:19][C:20](=[O:21])[N:22]2[CH2:23][CH2:24][CH:25]([N:28]3[C:29](=[O:39])[NH:30][c:31]4[c:32]([cH:35][cH:36][cH:37][cH:38]4)[CH2:33][CH2:34]3)[CH2:26][CH2:27]2)[cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[Na+:42].[OH-:41]>>[NH2:1][c:2]1[c:3]([Cl:40])[cH:4][c:5]([CH2:12][CH:13]([C:14](=[O:15])[OH:16])[NH:19][C:20](=[O:21])[N:22]2[CH2:23][CH2:24][CH:25]([N:28]3[C:29](=[O:39])[NH:30][c:31]4[c:32]([cH:35][cH:36][cH:37][cH:38]4)[CH2:33][CH2:34]3)[CH2:26][CH2:27]2)[cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]