HRID121750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID13362919

2-Bromo-N-(1,2-oxazol-3-yl)acetamide

C5H5BrN2O2

结构：O=C(OC1CN2CCC1CC2)C1(c2cccc(F)c2)CCCCCC1

HCID67310140

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=C(C[N+]12CCC(CC1)C(OC(=O)C1(c3cccc(F)c3)CCCCCC1)C2)Nc1ccon1

HCID75037624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d98dd9a6f49047e2a2b599564b4ac652
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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