HRID1152109

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

HCID2760997

N-[4-(Aminomethyl)phenyl]methanesulfonamide

C8H12N2O2S

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

HCID68779524

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1ccc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2CCc2ccccc2)cc1

HCID68783376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e11f74ce6734d5a811a1ed3d8ea9a44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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