HRID149030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID21097518

N-[4-(1-Aminoethyl)-2-fluorophenyl]methanesulfonamide

C9H13FN2O2S

HCID68512847

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C=Cc1ccc(C(F)(F)F)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1

HCID68779717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bafd1b320ff4114a0d9907526b01ff8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[ClH:16].[N:17]1([c:23]2[n:24][c:25]([C:34]([F:35])([F:36])[F:37])[cH:26][cH:27][c:28]2[CH:29]=[CH:30][C:31](=[O:32])[OH:33])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1.[NH2:1][CH:2]([CH3:3])[c:4]1[cH:5][c:6]([F:15])[c:7]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[cH:8][cH:9]1>>[NH:1]([CH:2]([CH3:3])[c:4]1[cH:5][c:6]([F:15])[c:7]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[cH:8][cH:9]1)[C:31]([CH:30]=[CH:29][c:28]1[c:23]([N:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[n:24][c:25]([C:34]([F:35])([F:36])[F:37])[cH:26][cH:27]1)=[O:32]