HRID294104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)c1ccc2c(Nc3cc(C(=O)NC(C)c4ccccc4)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

HCID67040381

未命名化合物

结构：CC(C)c1ccc2c(Nc3cc(C(=O)NC(c4ccccc4)C(F)(F)F)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

HCID78139814

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc2c(Nc3cc(C(=O)NC(c4ccccc4)C(F)(F)F)ccc3Sc3ccc(N)cc3)ncnc2n1

HCID67041121

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-343d219c87e14a349d3763026aee040c
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

[C:50]([O:51][C:52](=[O:53])[NH:54][c:55]1[cH:56][cH:57][c:58]([S:59][c:60]2[cH:61][cH:62][c:63]([C:64](=[O:65])[NH:66][CH:67]([c:68]3[cH:69][cH:70][cH:71][cH:72][cH:73]3)[CH3:74])[cH:75][c:76]2[NH:77][c:78]2[c:79]3[cH:80][cH:81][c:82]([CH:83]([CH3:84])[CH3:85])[n:86][c:87]3[n:88][cH:89][n:90]2)[cH:91][cH:92]1)([CH3:93])([CH3:94])[CH3:95].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][cH:10][n:11][c:12]2[NH:13][c:14]2[c:15]([S:34][c:35]3[cH:36][cH:37][c:38]([NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:39][cH:40]3)[cH:16][cH:17][c:18]([C:20]([NH:21][CH:22]([C:23]([F:24])([F:25])[F:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[cH:19]2)[n:49]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][cH:10][n:11][c:12]2[NH:13][c:14]2[c:15]([S:34][c:35]3[cH:36][cH:37][c:38]([NH2:41])[cH:39][cH:40]3)[cH:16][cH:17][c:18]([C:20]([NH:21][CH:22]([C:23]([F:24])([F:25])[F:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[cH:19]2)[n:49]1