HRID1202466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID2776270

Benzyl 4-(chlorocarbonyl)piperidine-1-carboxylate

C14H16ClNO3

HCID22393192

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1ccc2c(NC(=O)C3CCN(C(=O)OCc4ccccc4)CC3)ccnc21

HCID22393147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e9abe152559477da6df86671334c4cf
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([C:15](=[O:16])[Cl:17])[CH2:18][CH2:19]1.[CH3:37][C:38]#[N:39].[NH2:20][c:21]1[c:22]2[c:23]([n:24][cH:25][cH:26]1)[n:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:28][cH:29]2>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([C:15](=[O:16])[NH:20][c:21]2[c:22]3[c:23]([n:24][cH:25][cH:26]2)[n:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:28][cH:29]3)[CH2:18][CH2:19]1