HRID1542027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID2736373

ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

C8H8BrNO4

结构：O=C(OC1CN2CCC1CC2)C(NCc1ccccc1)c1ccccc1

HCID67124852

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CCOC(=O)c1cc(C(=O)C[N+]23CCC(CC2)C(OC(=O)C(NCc2ccccc2)c2ccccc2)C3)on1

HCID178469091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-228400a7c8f04732abd8effe4048857a
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:30][CH2:31][C:32](=[O:33])[c:34]1[cH:35][c:36]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[n:37][o:38]1.[CH3:27][C:28]#[N:29].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[N:1]12[CH2:2][CH:3]([O:9][C:10]([CH:11]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[NH:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[O:26])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Br-:30].[N+:1]12([CH2:31][C:32](=[O:33])[c:34]3[cH:35][c:36]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[n:37][o:38]3)[CH2:2][CH:3]([O:9][C:10]([CH:11]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[NH:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[O:26])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2