HRID2326821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：COc1ccc(C(=O)c2sc(NC3CCNCC3)nc2N)cc1F

HCID11951612

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)c2sc(NC3CCN(S(=O)(=O)N(C)C)CC3)nc2N)cc1F

HCID11951795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-304d2fc1ba7c48c48cfea08b3559cacc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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