HRID158876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

HCID57742666

未命名化合物

PRODUCTS

产物

HCID57742792

3-Phenoxy-N-(3-(piperidin-4-yl)-1,2,4-thiadiazol-5-yl)-5-(pyridin-2-ylthio)pyridin-2-amine

C23H22N6OS2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a886b7c7ad9e49f1a72143502f549c76
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

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