HRID1241140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7892

2-Methylpentane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID6485065

2-Bromo-N-(5-methyl-isoxazol-3-yl)-acetamide

C6H7BrN2O2

HCID66886760

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：Cc1cc(NC(=O)C[N+]23CCC(CC2)C(OC(=O)C2(c4cccs4)CCCCCC2)C3)no1

HCID75039530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6583cb23cac94c80bf8222af1b71ee4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:24][CH2:25][C:26](=[O:27])[NH:28][c:29]1[n:30][o:31][c:32]([CH3:34])[cH:33]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][CH2:42][CH2:43][CH:44]([CH3:45])[CH3:46].[CH3:47][C:48]#[N:49].[N:1]12[CH2:2][CH:3]([O:9][C:10](=[O:11])[C:12]3([c:19]4[s:20][cH:21][cH:22][cH:23]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-:24].[N+:1]12([CH2:25][C:26](=[O:27])[NH:28][c:29]3[n:30][o:31][c:32]([CH3:34])[cH:33]3)[CH2:2][CH:3]([O:9][C:10](=[O:11])[C:12]3([c:19]4[s:20][cH:21][cH:22][cH:23]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