HRID1542951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID66607

Carbamothioic chloride, diethyl-

C5H10ClNS

HCID5354618

Cesium

HCID10037346

1,2-Benzisothiazol-3(2H)-one, 6-hydroxy-4-(1-methylethyl)-, 1,1-dioxide

C10H11NO4S

结构：CC(C)c1cc(O)cc2c1C(=O)N(Cc1ccccc1)S2(=O)=O

HCID70044650

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=S)Oc1cc(C(C)C)c2c(c1)S(=O)(=O)N(Cc1ccccc1)C2=O

HCID86746562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30dfff79473645b785c19547911801b9
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

[Br:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[N:33]1[S:34](=[O:35])(=[O:36])[c:37]2[cH:38][c:39]([OH:48])[cH:40][c:41]([CH:45]([CH3:46])[CH3:47])[c:42]2[C:43]1=[O:44].[CH2:49]([CH3:50])[N:51]([C:52](=[S:53])[Cl:54])[CH2:55][CH3:56].[CH:2]([c:3]1[cH:4][c:5]([OH:6])[cH:7][c:8]2[c:9]1[C:10](=[O:11])[NH:12][S:13]2(=[O:14])=[O:15])([CH3:16])[CH3:17].[Cs:1].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[N:33]1[S:34](=[O:35])(=[O:36])[c:37]2[cH:38][c:39]([O:48][C:52]([N:51]([CH2:49][CH3:50])[CH2:55][CH3:56])=[S:53])[cH:40][c:41]([CH:45]([CH3:46])[CH3:47])[c:42]2[C:43]1=[O:44]