HRID126180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID88098

N-Isopropylethylenediamine

C5H14N2

结构：O=C(Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1)C1CC1

HCID11523999

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)NCCNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)C4CC4)sc3c2)cc1

HCID57980849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e77dfe3b6d64b9bafd9caf580f21fac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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