HRID835188

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

HCID81531

Diisopropylethylamine

C8H19N

HCID3572763

2-Chloro-5-ethylpyrimidine

C6H7ClN2

结构：CS(=O)(=O)c1ccc(-c2ccc(OCC3CCNCC3)cc2)cc1

HCID66672585

未命名化合物

PRODUCTS

生成物

结构：CCc1cnc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)cc3)CC2)nc1

HCID59177749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f98d8d35f16948d59661f0e02715fbd0
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

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