HRID289936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID76194

1-Propanamine, 3-(1-methylethoxy)-

C6H15NO

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1C(=O)O

HCID86650699

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1C(=O)NCCCOC(C)C

HCID86650701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbf9cf210e354bd1837427eca82065b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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