HRID300865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cl)cc2)CC1

HCID1491503

未命名化合物

HCID12019237

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

C15H16ClNO3

PRODUCTS

生成物

结构：COc1cc(-c2cc(CN(c3ccc(Cl)cc3)C3CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc(OC)c1OC

HCID22557808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1379b6659ae4be0ac53031cc830bb73
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

[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]([Cl:21])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[Cl:22][CH2:23][c:24]1[cH:25][c:26](-[c:30]2[cH:31][c:32]([O:40][CH3:41])[c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)[n:27][cH:28][cH:29]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]([Cl:21])[cH:19][cH:20]2)[CH2:23][c:24]2[cH:25][c:26](-[c:30]3[cH:31][c:32]([O:40][CH3:41])[c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]3)[n:27][cH:28][cH:29]2)[CH2:12][CH2:13]1