HRID286449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID9837752

N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulfonamide

C9H14N2O4S

结构：O=S(=O)(c1cccc(CCCCOCCCCCCBr)c1)C1CCCC1

HCID69119827

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1cc(C(O)CNCCCCCCOCCCCc2cccc(S(=O)(=O)C3CCCC3)c2)ccc1O

HCID77606596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15f85d5b3c8649b3bb1ec01aed343319
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][CH2:27][CH2:28][c:29]1[cH:30][c:31]([S:35](=[O:36])(=[O:37])[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:32][cH:33][cH:34]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[NH2:1][CH2:2][CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:16])[c:9]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:10]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[NH:1]([CH2:2][CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:16])[c:9]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:10]1)[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][CH2:27][CH2:28][c:29]1[cH:30][c:31]([S:35](=[O:36])(=[O:37])[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:32][cH:33][cH:34]1