HRID1538195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(OC(c1cccc(F)c1)c1cccc(F)c1)C1CN2CCC1CC2

HCID70925896

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=C(OC(c1cccc(F)c1)c1cccc(F)c1)C1C[N+]2(Cc3ccccc3)CCC1CC2

HCID86672943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-372b484eddfd46f1889f519ec140ca29
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

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