HRID146244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID13772857

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccc1)N1CCC(COCC(=O)OC(C)(C)C)C1

HCID178436018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc3b0934da004adaa888f7da7741d16c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br-:27].[Br:18][CH2:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[CH3:28][CH2:29][CH2:30][CH2:31][N+:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44].[CH3:3][CH:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH2:12][CH:13]([CH2:16][OH:17])[CH2:14][CH2:15]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Na+:2].[OH-:1].[OH2:45]>>[CH3:3][CH:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH2:12][CH:13]([CH2:16][O:17][CH2:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:14][CH2:15]1