HRID167208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53628369

未命名化合物

结构：CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1cc(Cl)nc(SCc2cccc(F)c2F)n1

HCID178458992

未命名化合物

PRODUCTS

生成物

结构：CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1cc(NS(=O)(=O)c2ccc(C#N)o2)nc(SCc2cccc(F)c2F)n1

HCID178458993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7a351198c4c45d5a4ff3fde2863999f
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:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[NH2:11])[o:7]1.[Cl:12][c:13]1[n:14][c:15]([S:43][CH2:44][c:45]2[c:46]([F:52])[c:47]([F:51])[cH:48][cH:49][cH:50]2)[n:16][c:17]([O:19][CH:20]([CH2:21][O:22][C:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH3:42])[cH:18]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[NH:11][c:13]2[n:14][c:15]([S:43][CH2:44][c:45]3[c:46]([F:52])[c:47]([F:51])[cH:48][cH:49][cH:50]3)[n:16][c:17]([O:19][CH:20]([CH2:21][O:22][C:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH3:42])[cH:18]2)[o:7]1