HRID163408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID11029756

N-methylcyclopropanamine

C4H9N

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2COS(C)(=O)=O)cc1)C(F)(F)F

HCID86670324

未命名化合物

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2CNCC2CC2)cc1)C(F)(F)F

HCID178466705

未命名化合物

PRODUCTS

生成物

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2CN(CC2CC2)S(C)(=O)=O)cc1)C(F)(F)F

HCID77148453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23c5d1a8630747a0a5fdaa275afbddcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][S:2]([O:3][CH2:4][CH:5]1[CH2:6][N:7]([S:8]([c:9]2[s:10][cH:11][cH:12][cH:13]2)(=[O:14])=[O:15])[CH2:16][CH2:17][N:18]1[c:19]1[cH:20][cH:21][c:22]([C:23]([OH:24])([CH3:25])[C:26]([F:27])([F:28])[F:29])[cH:30][cH:31]1)(=[O:32])=[O:33].[CH3:39][S:40]([Cl:41])(=[O:42])=[O:43].[CH:34]1([NH:35][CH3:36])[CH2:37][CH2:38]1.[CH:44]1([CH2:47][NH:48][CH2:49][CH:50]2[N:51]([c:64]3[cH:65][cH:66][c:67]([C:70]([C:71]([F:72])([F:73])[F:74])([CH3:75])[OH:76])[cH:68][cH:69]3)[CH2:52][CH2:53][N:54]([S:56](=[O:57])(=[O:58])[c:59]3[s:60][cH:61][cH:62][cH:63]3)[CH2:55]2)[CH2:45][CH2:46]1>>[CH3:39][S:40](=[O:42])(=[O:43])[N:48]([CH2:47][CH:44]1[CH2:45][CH2:46]1)[CH2:49][CH:50]1[N:51]([c:64]2[cH:65][cH:66][c:67]([C:70]([C:71]([F:72])([F:73])[F:74])([CH3:75])[OH:76])[cH:68][cH:69]2)[CH2:52][CH2:53][N:54]([S:56](=[O:57])(=[O:58])[c:59]2[s:60][cH:61][cH:62][cH:63]2)[CH2:55]1