HRID695541

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

HCID68785792

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cc1nc(C(F)(F)F)ccc1C=CC(=O)NCc1ccc(NS(C)(=O)=O)cc1

HCID68785213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-977e7c92a5bb4304941658a17af7ff0c
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

[CH2:34]([CH:35]([CH3:36])[CH3:37])[c:38]1[n:39][c:40]([C:49]([F:50])([F:51])[F:52])[cH:41][cH:42][c:43]1[CH:44]=[CH:45][C:46](=[O:47])[OH:48].[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:46]([CH:45]=[CH:44][c:43]1[c:38]([CH2:34][CH:35]([CH3:36])[CH3:37])[n:39][c:40]([C:49]([F:50])([F:51])[F:52])[cH:41][cH:42]1)=[O:47]