HRID1120597

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

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4340561

2-Aminoethylmethyl sulfone

C3H9NO2S

结构：CC(C)C(C(=O)O)N1Cc2c(F)cnc3[nH]cc(c23)C1=O

HCID67224725

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(C(=O)NCCS(C)(=O)=O)N1Cc2c(F)cnc3[nH]cc(c23)C1=O

HCID75302015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6802c53e838548d8bdf28794f4841e69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:40]([Cl:41])[CH2:42][Cl:43].[CH3:23][S:24](=[O:25])(=[O:26])[CH2:27][CH2:28][NH2:29].[CH3:44][N:45]([CH3:46])[c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[ClH:22].[F:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:14])[OH:15])[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1>>[F:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:15])[NH:29][CH2:28][CH2:27][S:24]([CH3:23])(=[O:25])=[O:26])[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13