HRID96641

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

HCID137521

5-Bromo-2-methyl-2-pentene

C6H11Br

HCID166653

Hydride

H-

结构：COCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F

HCID19434794

未命名化合物

PRODUCTS

生成物

结构：COCN(C(=O)OC(C)(C)C)c1ccc(-c2cc(=O)c3c(NCCC=C(C)C)c(F)cc(F)c3o2)cc1F

HCID19434822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e0bba3fbec743d780f9a7976ad0b0eb
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

[Br:35][CH2:36][CH2:37][CH:38]=[C:39]([CH3:40])[CH3:41].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[H-:33].[NH2:1][c:2]1[c:3]([F:32])[cH:4][c:5]([F:31])[c:6]2[c:7]1[c:8](=[O:30])[cH:9][c:10](-[c:12]1[cH:13][c:14]([F:29])[c:15]([N:18]([CH2:19][O:20][CH3:21])[C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:16][cH:17]1)[o:11]2.[Na+:34].[OH2:42]>>[NH:1]([c:2]1[c:3]([F:32])[cH:4][c:5]([F:31])[c:6]2[c:7]1[c:8](=[O:30])[cH:9][c:10](-[c:12]1[cH:13][c:14]([F:29])[c:15]([N:18]([CH2:19][O:20][CH3:21])[C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:16][cH:17]1)[o:11]2)[CH2:36][CH2:37][CH:38]=[C:39]([CH3:40])[CH3:41]