HRID1204454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6645

Methyl toluene-4-sulfonate

C8H10O3S

HCID21937369

未命名化合物

结构：COCCOc1ccc(N(C)C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1

HCID86620424

未命名化合物

PRODUCTS

生成物

结构：CCNc1ccc(C(C)=O)cc1N=C1SC(=CN(C)c2ccc(OCCOC)cc2)C(=O)N1Cc1ccccc1

HCID72984603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-688ec2465b594c62a25b32f308139892
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[S:28])[S:10][C:11](=[CH:14][N:15]([c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][CH2:24][O:25][CH3:26])[cH:20][cH:21]2)[CH3:27])[C:12]1=[O:13].[NH2:41][c:42]1[cH:43][c:44]([C:51]([CH3:52])=[O:53])[cH:45][cH:46][c:47]1[NH:48][CH2:49][CH3:50].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([O:35][CH3:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[N:41][c:42]2[cH:43][c:44]([C:51]([CH3:52])=[O:53])[cH:45][cH:46][c:47]2[NH:48][CH2:49][CH3:50])[S:10][C:11](=[CH:14][N:15]([c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][CH2:24][O:25][CH3:26])[cH:20][cH:21]2)[CH3:27])[C:12]1=[O:13]