HRID179941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID520726

1-Bromo-5-methylhexane

C7H15Br

结构：CC(C)(C)C(=O)Nc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F

HCID19434934

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCCCNc1c(F)cc(F)c2oc(-c3ccc(NC(=O)C(C)(C)C)c(F)c3)cc(=O)c12

HCID19434827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f12bb3b4c7d4f2b93fbbd17358108b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:29][CH2:30][CH2:31][CH2:32][CH2:33][CH:34]([CH3:35])[CH3:36].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[H-:37].[NH2:1][c:2]1[c:3]([F:28])[cH:4][c:5]([F:27])[c:6]2[c:7]1[c:8](=[O:26])[cH:9][c:10](-[c:12]1[cH:13][c:14]([F:25])[c:15]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:16][cH:17]1)[o:11]2.[Na+:38].[OH2:39]>>[NH:1]([c:2]1[c:3]([F:28])[cH:4][c:5]([F:27])[c:6]2[c:7]1[c:8](=[O:26])[cH:9][c:10](-[c:12]1[cH:13][c:14]([F:25])[c:15]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:16][cH:17]1)[o:11]2)[CH2:30][CH2:31][CH2:32][CH2:33][CH:34]([CH3:35])[CH3:36]