HRID2137205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID263182

tetrahydropyranyl ether

C10H18O3

HCID13089081

未命名化合物

结构：CN(C)c1ccc(-c2cc(=O)c3c(NC(=O)C(C)(C)C)c(F)cc(F)c3o2)cc1F

HCID19434956

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(-c2cc(=O)c3c(NCCCCCCO)c(F)cc(F)c3o2)cc1F

HCID19434808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16f3303de56948cd88d968bd0a0d8a7e
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

[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[Cl-:54].[F:1][c:2]1[cH:3][c:4]([F:30])[c:5]2[c:6]([c:7](=[O:21])[cH:8][c:9](-[c:11]3[cH:12][c:13]([F:20])[c:14]([N:17]([CH3:18])[CH3:19])[cH:15][cH:16]3)[o:10]2)[c:22]1[NH:23][C:24](=[O:25])[C:26]([CH3:27])([CH3:28])[CH3:29].[H-:31].[I:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][OH:53].[NH4+:55].[Na+:32].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH:38]1[O:39][CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44][O:45]1>>[F:1][c:2]1[cH:3][c:4]([F:30])[c:5]2[c:6]([c:7](=[O:21])[cH:8][c:9](-[c:11]3[cH:12][c:13]([F:20])[c:14]([N:17]([CH3:18])[CH3:19])[cH:15][cH:16]3)[o:10]2)[c:22]1[NH:23][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][OH:53]