HRID2128216

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

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID3280088

未命名化合物

HCID59456546

未命名化合物

HCID178465985

未命名化合物

PRODUCTS

生成物

结构：CC(OCC(=O)NCC(F)(F)C(F)(F)F)C1=CCC2C(=CBr)CCCC12C

HCID178468077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7bc0eeb2eeb4cb6804005269aaec904
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

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