HRID1201321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID86650700

未命名化合物

结构：CNC(=O)c1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OC

HCID86650720

未命名化合物

PRODUCTS

生成物

HCID62116121

未命名化合物

结构：CNC(=O)c1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OC

HCID66916350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec816f3c959f4558bdd3be1de38a6ea4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[F:1][c:2]1[cH:3][c:4]([NH:5][C:6]([NH:7][C:8](=[O:9])[CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[S:17])[cH:18][cH:19][c:20]1[O:21][c:22]1[c:23]2[c:24]([cH:25][c:26]([O:27][CH3:28])[c:29]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:37]2)[n:38][cH:39][cH:40]1.[F:41][c:42]1[c:43]([O:44][c:45]2[cH:46][cH:47][n:48][c:49]3[cH:50][c:51]([O:59][CH3:60])[c:52]([C:55](=[O:56])[NH:57][CH3:58])[cH:53][c:54]23)[cH:61][cH:62][c:63]([NH:65][C:66](=[S:67])[NH:68][C:69]([CH2:70][c:71]2[cH:72][cH:73][c:74]([C:77]([F:78])([F:79])[F:80])[cH:75][cH:76]2)=[O:81])[cH:64]1>>[C:66](=[S:67])=[N:68][C:69]([CH2:70][c:71]1[cH:72][cH:73][c:74]([C:77]([F:78])([F:79])[F:80])[cH:75][cH:76]1)=[O:81].[F:41][c:42]1[c:43]([O:44][c:45]2[cH:46][cH:47][n:48][c:49]3[cH:50][c:51]([O:59][CH3:60])[c:52]([C:55](=[O:56])[NH:57][CH3:58])[cH:53][c:54]23)[cH:61][cH:62][c:63]([NH2:65])[cH:64]1