HRID1547909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2757234

未命名化合物

结构：NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)O)sc4c3n2)c1

HCID11486430

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc4c3s2)C1

HCID59262801

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-524709a99b6c4f4cb30d538755a3057e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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