HRID2329827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID2734060

未命名化合物

HCID68784781

未命名化合物

HCID68785792

未命名化合物

PRODUCTS

生成物

结构：C=CS(=O)(=O)Nc1ccc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2CC(C)C)cc1

HCID68782138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-351413e46aac48889716afac951499b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:35]([CH:36]([CH3:37])[CH3:38])[c:39]1[n:40][c:41]([C:50]([F:51])([F:52])[F:53])[cH:42][cH:43][c:44]1[CH:45]=[CH:46][C:47](=[O:48])[OH:49].[CH3:18][O:19][c:20]1[n:21][c:22]([O:23][CH3:24])[n:25][c:26]([N+:27]2([CH3:28])[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[n:34]1.[Cl-:17].[ClH:15].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH:13]=[CH2:14])[cH:7][cH:8]1.[OH2:16]>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH:13]=[CH2:14])[cH:7][cH:8]1)[C:47]([CH:46]=[CH:45][c:44]1[c:39]([CH2:35][CH:36]([CH3:37])[CH3:38])[n:40][c:41]([C:50]([F:51])([F:52])[F:53])[cH:42][cH:43]1)=[O:48]