HRID318561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：COc1cc(-c2cc(CCl)ccn2)cc(OC)c1OC

HCID12019237

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

C15H16ClNO3

反应SMILES：COc1cc(-c2cc(CN3CCNC(C)C3=O)ccn2)cc(OC)c1OC

HCID18460597

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：COc1cc(-c2cc(CN3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)C(C)C3=O)ccn2)cc(OC)c1OC

HCID18460585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e41231e7021343bdad0918d66ab33f2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[CH3:1][CH:2]1[C:3](=[O:27])[N:4]([CH2:8][c:9]2[cH:10][c:11](-[c:15]3[cH:16][c:17]([O:25][CH3:26])[c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]3)[n:12][cH:13][cH:14]2)[CH2:5][CH2:6][NH:7]1.[Cl:28][CH2:29][c:30]1[cH:31][c:32](-[c:36]2[cH:37][c:38]([O:46][CH3:47])[c:39]([O:44][CH3:45])[c:40]([O:42][CH3:43])[cH:41]2)[n:33][cH:34][cH:35]1>>[CH3:1][CH:2]1[C:3](=[O:27])[N:4]([CH2:8][c:9]2[cH:10][c:11](-[c:15]3[cH:16][c:17]([O:25][CH3:26])[c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]3)[n:12][cH:13][cH:14]2)[CH2:5][CH2:6][N:7]1[CH2:29][c:30]1[cH:31][c:32](-[c:36]2[cH:37][c:38]([O:46][CH3:47])[c:39]([O:44][CH3:45])[c:40]([O:42][CH3:43])[cH:41]2)[n:33][cH:34][cH:35]1.[ClH:28]