HRID1574280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85570

Tosylate

C7H7O3S-

HCID20626654

Methyl 4-(ethylamino)-3-nitrobenzoate

C10H12N2O4

PRODUCTS

生成物

结构：CCNc1ccc(C(=O)OC)cc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccccc1

HCID73855060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bef68ba0fda44406be3f02a881fda796
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

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