HRID157875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3520

Guanidine

CH5N3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10590825

methyl 4-bromo-5-methanesulfonyl-2-methylbenzoate

C10H11BrO4S

结构：C#Cc1cc(C)c(C(=O)N=C(N)N)cc1S(C)(=O)=O

HCID19688115

未命名化合物

HCID19688249

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

HCID19688146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c680e1387c2c4ba7a41b8b89c1736c8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:20][c:21]1[cH:22][c:23]([Br:24])[c:25]([S:26]([CH3:27])(=[O:28])=[O:29])[cH:30][c:31]1[C:32]([O:33][CH3:34])=[O:35].[CH3:36][c:37]1[cH:38][c:39]([C:40]#[CH:41])[c:42]([S:43]([CH3:44])(=[O:45])=[O:46])[cH:47][c:48]1[C:49]([O:50][CH3:51])=[O:52].[H:57][H:58].[NH2:1][C:2](=[N:3][C:4]([c:5]1[c:6]([CH3:17])[cH:7][c:8]([C:15]#[CH:16])[c:9]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:10]1)=[O:18])[NH2:19].[NH2:53][C:54](=[NH:55])[NH2:56].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[NH2:1][C:2](=[N:3][C:4]([c:5]1[c:6]([CH3:17])[cH:7][c:8]([CH:15]=[CH2:16])[c:9]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:10]1)=[O:18])[NH2:19]