HRID2334157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID3520

Guanidine

CH5N3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID19660

Carbonate

CO3-2

HCID182670

4-Chloro-3-(methanesulfonyl)benzoato

C8H7ClO4S

HCID597272

未命名化合物

结构：COC(=O)c1ccc(Oc2ccc(C)nc2)c(S(C)(=O)=O)c1

HCID19360282

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc(C(=O)N=C(N)N)cc2S(C)(=O)=O)cn1

HCID19360327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-317e36d6bc924671979503c74d39baef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:27][S:28]([c:29]1[cH:30][c:31]([C:36]([OH:37])=[O:38])[cH:32][cH:33][c:34]1[Cl:35])(=[O:39])=[O:40].[CH3:41][c:42]1[n:43][cH:44][c:45]([O:46][Si:47]([CH3:48])([CH3:49])[CH3:50])[cH:51][cH:52]1.[CH3:53][I:54].[CH3:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17][c:18]1[O:19][c:20]1[cH:21][n:22][c:23]([CH3:26])[cH:24][cH:25]1.[K+:55].[K+:56].[NH2:1][C:2]([NH2:3])=[NH:4].[O-:57][C:58]([O-:59])=[O:60].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[N:1](=[C:2]([NH2:3])[NH2:4])[C:12]([c:11]1[cH:10][c:9]([S:6]([CH3:5])(=[O:7])=[O:8])[c:18]([O:19][c:20]2[cH:21][n:22][c:23]([CH3:26])[cH:24][cH:25]2)[cH:17][cH:16]1)=[O:13]