HRID696400

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

HCID21097526

N-[4-(Aminomethyl)-2-fluorophenyl]methanesulfonamide

C8H11FN2O2S

HCID68783327

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1ccc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2Oc2ccccc2)cc1F

HCID68786925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96e240825b854457942ee3d763fe6294
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

[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][c:5]([F:14])[c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH3:13])[cH:7][cH:8]1.[O: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].[OH2:16]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([F:14])[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]([O: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]