HRID1573268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID8002

1-Bromobutane

C4H9Br

HCID24841

Hydrogen iodide

HCID59270650

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CCCCCCCCCCCCOC(=O)CCN1CC[N+](C)(CCCC)CC1

HCID59270651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f413facf58f84331998769dc250cf541
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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