HRID2154224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2760919

Cyclopropanesulfonyl chloride

C3H5ClO2S

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(N)cn4n3)ccc2F)n(C)n1

HCID57505568

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NS(=O)(=O)C5CC5)cn4n3)ccc2F)n(C)n1

HCID57505601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b99f20647c2a458097e75d223cde925d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][C:50]1=[O:51].[CH:37]1([S:40](=[O:41])(=[O:42])[Cl:43])[CH2:38][CH2:39]1.[ClH:1].[NH2:2][c:3]1[n:4][c:5]2[n:6]([n:7][c:8]([O:11][c:12]3[cH:13][cH:14][c:15]([F:28])[c:16]([NH:18][C:19](=[O:20])[c:21]4[cH:22][c:23]([CH3:27])[n:24][n:25]4[CH3:26])[cH:17]3)[cH:9][cH:10]2)[cH:29]1.[OH2:44]>>[NH:2]([c:3]1[n:4][c:5]2[n:6]([n:7][c:8]([O:11][c:12]3[cH:13][cH:14][c:15]([F:28])[c:16]([NH:18][C:19](=[O:20])[c:21]4[cH:22][c:23]([CH3:27])[n:24][n:25]4[CH3:26])[cH:17]3)[cH:9][cH:10]2)[cH:29]1)[S:40]([CH:37]1[CH2:38][CH2:39]1)(=[O:41])=[O:42]