HRID122588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID225528

2-bromo-N-(3-methylphenyl)acetamide

C9H10BrNO

结构：O=C(OC1CN2CCC1CC2)C1(c2ccccc2)CCCCCC1

HCID66885894

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：Cc1cccc(NC(=O)C[N+]23CCC(CC2)C(OC(=O)C2(c4ccccc4)CCCCCC2)C3)c1

HCID87351657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be881fcf2b124554895e81e0ef0f5933
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:25][CH2:26][C:27](=[O:28])[NH:29][c:30]1[cH:31][c:32]([CH3:36])[cH:33][cH:34][cH:35]1.[CH3:37][C:38]#[N:39].[N:1]12[CH2:2][CH:3]([O:9][C:10](=[O:11])[C:12]3([c:19]4[cH:20][cH:21][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-:25].[N+:1]12([CH2:26][C:27](=[O:28])[NH:29][c:30]3[cH:31][c:32]([CH3:36])[cH:33][cH:34][cH:35]3)[CH2:2][CH:3]([O:9][C:10](=[O:11])[C:12]3([c:19]4[cH:20][cH:21][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