HRID826674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID22141143

N-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl)methanesulfonamide

C13H18N2O2S

HCID22141166

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CCC(=O)N2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)[nH]c2ccc(F)cc12

HCID22141190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c00fa385cf034c8a80f699af0385d67d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:59](=[O:60])([O-:61])[OH:62].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:41][C:42]1([c:48]2[cH:49][c:50]([NH:54][S:55](=[O:56])(=[O:57])[CH3:58])[cH:51][cH:52][cH:53]2)[CH:43]2[CH2:44][NH:45][CH2:46][CH:47]12.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[ClH:28].[ClH:40].[F:1][c:2]1[cH:3][c:4]2[c:5]([CH3:16])[c:6]([CH2:11][CH2:12][C:13](=[O:14])[OH:15])[nH:7][c:8]2[cH:9][cH:10]1.[Na+:63].[OH2:17].[OH:18][n:19]1[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([CH3:16])[c:6]([CH2:11][CH2:12][C:13](=[O:15])[N:45]3[CH2:44][CH:43]4[C:42]([CH3:41])([c:48]5[cH:49][c:50]([NH:54][S:55](=[O:56])(=[O:57])[CH3:58])[cH:51][cH:52][cH:53]5)[CH:47]4[CH2:46]3)[nH:7][c:8]2[cH:9][cH:10]1