HRID304659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID4744711

2-(4-(Tert-butyl)phenyl)cyclopropanecarboxylic acid

C14H18O2

HCID21097526

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

C8H11FN2O2S

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C2CC2C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1

HCID11853869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-889ab96c4de347e5b73c4d19ca668197
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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