HRID691265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID15365

N,N-Dimethyl-1-octadecanamine

C20H43N

HCID523090

2-Bromoethyl benzoate

C9H9BrO2

PRODUCTS

产物

HCID259

Bromide

Br-

HCID19774318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6e5fc10c8e21446d80e734f1c3edf254
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

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