HRID2134639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID544738

4-(2-Methoxyphenyl)piperidine

C12H17NO

结构：COc1ccc(Cc2ncc(CCl)c3cc(OC)c(OC)cc23)cc1OC

HCID13560529

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cc2ncc(CN3CCC(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc23)cc1OC

HCID6852196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-748942a5f4fe44b1b1d2c4bcca280c81
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

[CH3:28][O:29][c:30]1[c:31]([CH:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:32][cH:33][cH:34][cH:35]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][S:50]([CH3:51])=[O:52].[Cl:1][CH2:2][c:3]1[cH:4][n:5][c:6]([CH2:17][c:18]2[cH:19][c:20]([O:26][CH3:27])[c:21]([O:24][CH3:25])[cH:22][cH:23]2)[c:7]2[cH:8][c:9]([O:15][CH3:16])[c:10]([O:13][CH3:14])[cH:11][c:12]12.[OH2:53]>>[CH2:2]([c:3]1[cH:4][n:5][c:6]([CH2:17][c:18]2[cH:19][c:20]([O:26][CH3:27])[c:21]([O:24][CH3:25])[cH:22][cH:23]2)[c:7]2[cH:8][c:9]([O:15][CH3:16])[c:10]([O:13][CH3:14])[cH:11][c:12]12)[N:39]1[CH2:38][CH2:37][CH:36]([c:31]2[c:30]([O:29][CH3:28])[cH:35][cH:34][cH:33][cH:32]2)[CH2:41][CH2:40]1