HRID165968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID737487

methyl 6-aminonicotinate

C7H8N2O2

结构：CCCCCN(C(=O)Cl)c1ccc2c(c1)C(C)(C)CCC2(C)C

HCID11484465

未命名化合物

PRODUCTS

生成物

结构：CCCCCN(C(=O)Nc1ccc(C(=O)OC)cn1)c1ccc2c(c1)C(C)(C)CCC2(C)C

HCID22600033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18824b93c36d4061bba7e26b80656242
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[N:6]([C:7](=[O:8])[Cl:9])[c:10]1[cH:11][c:12]2[c:17]([cH:18][cH:19]1)[C:16]([CH3:20])([CH3:21])[CH2:15][CH2:14][C:13]2([CH3:22])[CH3:23].[NH2:24][c:25]1[n:26][cH:27][c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34]1.[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[N:6]([C:7](=[O:8])[NH:24][c:25]1[n:26][cH:27][c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34]1)[c:10]1[cH:11][c:12]2[c:17]([cH:18][cH:19]1)[C:16]([CH3:20])([CH3:21])[CH2:15][CH2:14][C:13]2([CH3:22])[CH3:23]