HRID1132555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

反应SMILES：COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c2sc(NC(=O)c3ccnc(N4CCOCC4)c3)nc12

HCID86588843

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C2CCNCC2)c2sc(NC(=O)c3ccnc(N4CCOCC4)c3)nc12

HCID22719530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-25a94e420953473f84a02fc267e26ab3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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