HRID2126775

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：CSc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID22558035

未命名化合物

PRODUCTS

生成物

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

HCID22558025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b728a4548424606b298cf4092655877
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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]([S:21][CH3:22])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[Cl:23][CH2:24][c:25]1[cH:26][c:27](-[c:31]2[cH:32][c:33]([O:41][CH3:42])[c:34]([O:39][CH3:40])[c:35]([O:37][CH3:38])[cH:36]2)[n:28][cH:29][cH:30]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]([S:21][CH3:22])[cH:19][cH:20]2)[CH2:24][c:25]2[cH:26][c:27](-[c:31]3[cH:32][c:33]([O:41][CH3:42])[c:34]([O:39][CH3:40])[c:35]([O:37][CH3:38])[cH:36]3)[n:28][cH:29][cH:30]2)[CH2:12][CH2:13]1