HRID160327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)S1

HCID86654540

未命名化合物

HCID86654626

未命名化合物

PRODUCTS

生成物

结构：CONC(=O)C1CN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(C(F)(F)F)cc4C(F)(F)F)c3)S2)CCN1C(=O)OC(C)(C)C

HCID86654627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82bb77d555004c1f904cd56f47965320
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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