HRID2329860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6061

Methylhydrazine

CH6N2

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

结构：COCOCc1csc2c1S(=O)(=O)N=C(c1c(O)c3ccccc3n(N3C(=O)c4ccccc4C3=O)c1=O)N2

HCID136358412

未命名化合物

PRODUCTS

生成物

结构：COCOCc1csc2c1S(=O)(=O)N=C(c1c(O)c3ccccc3n(N)c1=O)N2

HCID136358411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c6a2cea739f4f9ca67c51f258158fa4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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