HRID119744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID21097500

未命名化合物

HCID21097526

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

C8H11FN2O2S

HCID57501467

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1OCC1CC1

HCID21097461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a3ca1a288fa4e2ba711fdc3830df568
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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