HRID212884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID3283

Diethyl Ether

C4H10O

HCID2801214

1,3-Dipropylthiourea

C7H16N2S

HCID20476846

未命名化合物

结构：CCCN=C1SCC(O)(c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)N1CCC

HCID22760674

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID22760674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e49c56645a554acda01e832be1e74a91
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][CH2:2][C:3]([c:4]1[cH:5][cH:6][c:7]([Cl:11])[c:8]([S:9](=[O:10])(=[O:12])[N:13]([CH3:14])[CH3:15])[cH:16]1)=[O:17].[BrH:28].[CH2:18]([NH:19][C:20]([NH:21][CH2:22][CH2:23][CH3:24])=[S:25])[CH2:26][CH3:27].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[Cl:29][c:30]1[c:31]([S:49]([N:50]([CH3:51])[CH3:52])(=[O:53])=[O:54])[cH:32][c:33]([C:36]2([OH:48])[N:37]([CH2:45][CH2:46][CH3:47])[C:38](=[N:41][CH2:42][CH2:43][CH3:44])[S:39][CH2:40]2)[cH:34][cH:35]1>>[Cl:29][c:30]1[c:31]([S:49]([N:50]([CH3:51])[CH3:52])(=[O:53])=[O:54])[cH:32][c:33]([C:36]2([OH:48])[N:37]([CH2:45][CH2:46][CH3:47])[C:38](=[N:41][CH2:42][CH2:43][CH3:44])[S:39][CH2:40]2)[cH:34][cH:35]1.[ClH:11]