HRID1558485

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(CF)c4ccccc4)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

HCID91084883

未命名化合物

PRODUCTS

生成物

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

HCID67041191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abe2e7ccd6704082a58e1e09082c404b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:48]([O:49][C:50](=[O:51])[NH:52][c:53]1[cH:54][cH:55][c:56]([S:57][c:58]2[cH:59][cH:60][c:61]([C:62](=[O:63])[NH:64][CH:65]([c:66]3[cH:67][cH:68][cH:69][cH:70][cH:71]3)[CH3:72])[cH:73][c:74]2[NH:75][c:76]2[c:77]3[cH:78][cH:79][c:80]([CH:81]([CH3:82])[CH3:83])[n:84][c:85]3[n:86][cH:87][n:88]2)[cH:89][cH:90]1)([CH3:91])([CH3:92])[CH3:93].[F:1][CH2:2][CH:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][C:11](=[O:12])[c:13]1[cH:14][c:15]([NH:34][c:35]2[c:36]3[c:37]([n:38][cH:39][n:40]2)[n:41][c:42]([CH:45]([CH3:46])[CH3:47])[cH:43][cH:44]3)[c:16]([S:19][c:20]2[cH:21][cH:22][c:23]([NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:24][cH:25]2)[cH:17][cH:18]1>>[F:1][CH2:2][CH:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][C:11](=[O:12])[c:13]1[cH:14][c:15]([NH:34][c:35]2[c:36]3[c:37]([n:38][cH:39][n:40]2)[n:41][c:42]([CH:45]([CH3:46])[CH3:47])[cH:43][cH:44]3)[c:16]([S:19][c:20]2[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]2)[cH:17][cH:18]1