HRID1568278

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22665626

未命名化合物

结构：CC1CCN(C(=O)C(Cc2cc3c(N)nccc3s2)NS(=O)(=O)c2ccc(OC3CCOCC3)cc2)CC1

HCID22665795

N-[1-(4-Amino-thieno[3,2-c]pyridin-2-ylmethyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-4-(tetrahydropyran-4-yloxy)-benzenesulfonamide

C27H34N4O5S2

PRODUCTS

生成物

结构：COCC(COC)Oc1ccc(S(=O)(=O)NC(Cc2cc3c(N)nccc3s2)C(=O)N2CCC(C)CC2)cc1

HCID22665875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82b44010e9384e3eadc7ee83aab414ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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