HRID1545934

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

结构：O=C(O)C=Cc1ccc(C(F)(F)F)nc1CCc1ccccc1

HCID68779524

未命名化合物

HCID68787383

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccc(C(F)(F)F)nc1CCc1ccccc1)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1

HCID72335672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d94ea51f16644da091af91bd90cf6b1a
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

[CH2:37]([CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[c:45]1[n:46][c:47]([C:56]([F:57])([F:58])[F:59])[cH:48][cH:49][c:50]1[CH:51]=[CH:52][C:53](=[O:54])[OH:55].[CH3:20][O:21][c:22]1[n:23][c:24]([O:25][CH3:26])[n:27][c:28]([N+:29]2([CH3:30])[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[n:36]1.[Cl-:19].[ClH:17].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][S:10](=[O:11])(=[O:12])[C:13]([F:14])([F:15])[F:16])[cH:7][cH:8]1.[OH2:18]>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][S:10](=[O:11])(=[O:12])[C:13]([F:14])([F:15])[F:16])[cH:7][cH:8]1)[C:53]([CH:52]=[CH:51][c:50]1[c:45]([CH2:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[n:46][c:47]([C:56]([F:57])([F:58])[F:59])[cH:48][cH:49]1)=[O:54]