HRID686682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

HCID58728709

未命名化合物

PRODUCTS

产物

HCID54585009

2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzenesulfonamide

C35H41N5O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-56e5bb7b78c1466580ea7cd0eff61519
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH3:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH:9]3[CH2:10][CH2:11][CH:12]([CH2:13]1)[N:14]3[CH2:15][CH2:16][C:17]1([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:18][CH2:19][N:20]([C:23](=[O:24])[c:25]3[c:26]([S:31](=[O:32])(=[O:33])[NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:27][cH:28][cH:29][cH:30]3)[CH2:21][CH2:22]1)[cH:48][cH:49][cH:50][cH:51]2.[ClH:52].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1>>[CH3:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH:9]3[CH2:10][CH2:11][CH:12]([CH2:13]1)[N:14]3[CH2:15][CH2:16][C:17]1([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:18][CH2:19][N:20]([C:23](=[O:24])[c:25]3[c:26]([S:31](=[O:32])(=[O:33])[NH2:34])[cH:27][cH:28][cH:29][cH:30]3)[CH2:21][CH2:22]1)[cH:48][cH:49][cH:50][cH:51]2