HRID113698

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15542885

未命名化合物

结构：COc1cc(CN2CCC(CCS(C)(=O)=O)(Cc3ccc(F)cc3F)C2=O)cc(OC)c1OC

HCID18333429

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN2CCC(CCN3CCC(O)(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(Cc3ccc(F)cc3F)C2=O)cc(OC)c1OC

HCID10305839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc909a70bcdc42c4946adc68957792a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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