HRID1133140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID853162

1,1'-Thiocarbonyldi-2(1H)-pyridone

C11H8N2O2S

HCID2723790

Thiourea

CH4N2S

反应SMILES：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2ccc(N)cc2C)c1

HCID145857675

未命名化合物

PRODUCTS

产物

反应SMILES：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2ccc(N=C=S)cc2C)c1

HCID145857695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4181f793833047a0adc366543bd11bf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:1](=[S:2])([n:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1=[O:9])[n:10]1[cH:11][cH:12][cH:13][cH:14][c:15]1=[O:16].[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25]([NH:26][C:27](=[NH:28])[c:29]1[s:30][c:31]([S:51][CH3:52])[c:32]([S:34](=[O:35])(=[O:36])[c:37]2[cH:38][c:39](-[c:43]3[c:44]([CH3:50])[cH:45][c:46]([NH2:49])[cH:47][cH:48]3)[cH:40][cH:41][cH:42]2)[cH:33]1)=[O:53].[Cl:17][CH2:18][Cl:19].[NH2:54][C:55](=[S:56])[NH2:57]>>[C:1](=[S:2])=[N:49][c:46]1[cH:45][c:44]([CH3:50])[c:43](-[c:39]2[cH:38][c:37]([S:34]([c:32]3[c:31]([S:51][CH3:52])[s:30][c:29]([C:27]([NH:26][C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:53])=[NH:28])[cH:33]3)(=[O:35])=[O:36])[cH:42][cH:41][cH:40]2)[cH:48][cH:47]1