HRID196299

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

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

HCID66885894

未命名化合物

HCID67028011

2-Chloro-N-(6-methyl-3-pyridinyl)acetamide

C8H9ClN2O

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：Cc1ccc(NC(=O)C[N+]23CCC(CC2)C(OC(=O)C2(c4ccccc4)CCCCCC2)C3)cn1

HCID76007358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fe3acd421e849a9af410fb38ebe1be9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:37][C:38]#[N:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][CH2:48][CH:49]([CH3:50])[CH3:51].[Cl:25][CH2:26][C:27](=[O:28])[NH:29][c:30]1[cH:31][n:32][c:33]([CH3:36])[cH:34][cH:35]1.[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>>[Cl-:25].[N+:1]12([CH2:26][C:27](=[O:28])[NH:29][c:30]3[cH:31][n:32][c:33]([CH3:36])[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