HRID946727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID78736

1H-Imidazole-1-propanamine

C6H11N3

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1cc(S(=O)(=O)c2cnc(Cl)c(Br)c2)c(SC)s1

HCID21057179

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(S(=O)(=O)c2cnc(NCCCn3ccnc3)c(Br)c2)c(SC)s1

HCID69586453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c56d5f95c634a979bf9d661aeabd75c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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