HRID697757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID4460490

tert-butyl N-(3-bromopropyl)carbamate

C8H16BrNO2

HCID5276659

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCn1c(=O)c(Br)cn(Cc2ccccc2)c1=O

HCID15550160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5887fdf279114bcf980ad62d4337c6bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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