HRID104730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6558

Isobutylamine

C4H11N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

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(C)CNCC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1

HCID178448999

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1)S(C)(=O)=O

HCID77148350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abb8590a8a6b4b319adbcfcb4257cdbd
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

[CH2:34]([NH2:35])[CH:36]([CH3:37])[CH3:38].[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].[F:44][C:45]([C:46]([CH3:47])([OH:48])[c:49]1[cH:50][cH:51][c:52]([N:55]2[CH:56]([CH2:69][NH:70][CH2:71][CH:72]([CH3:73])[CH3:74])[CH2:57][N:58]([S:61](=[O:62])(=[O:63])[c:64]3[s:65][cH:66][cH:67][cH:68]3)[CH2:59][CH2:60]2)[cH:53][cH:54]1)([F:75])[F:76]>>[CH3:39][S:40](=[O:42])(=[O:43])[N:70]([CH2:69][CH:56]1[N:55]([c:52]2[cH:51][cH:50][c:49]([C:46]([C:45]([F:44])([F:75])[F:76])([CH3:47])[OH:48])[cH:54][cH:53]2)[CH2:60][CH2:59][N:58]([S:61](=[O:62])(=[O:63])[c:64]2[s:65][cH:66][cH:67][cH:68]2)[CH2:57]1)[CH2:71][CH:72]([CH3:73])[CH3:74]