HRID174564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12019237

4-chloromethyl-2-(3,4,5-trimethoxyphenyl) pyridine

C15H16ClNO3

结构：CCCCOc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22557944

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1ccc(N(Cc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22557914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74188f597ea44976abaed02ed8db460e
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[Cl:26][CH2:27][c:28]1[cH:29][c:30](-[c:34]2[cH:35][c:36]([O:44][CH3:45])[c:37]([O:42][CH3:43])[c:38]([O:40][CH3:41])[cH:39]2)[n:31][cH:32][cH:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]([c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:19][cH:20]2)[CH2:27][c:28]2[cH:29][c:30](-[c:34]3[cH:35][c:36]([O:44][CH3:45])[c:37]([O:42][CH3:43])[c:38]([O:40][CH3:41])[cH:39]3)[n:31][cH:32][cH:33]2)[CH2:12][CH2:13]1