HRID698285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CCCCC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1

HCID58275390

未命名化合物

结构：NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CCCC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1

HCID58275431

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CCC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1

HCID58275254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87e66d18c47d46fb82a803ba2c4863ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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