HRID281596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID32838

Diaminomethaniminium

CH6N3+

HCID81531

Diisopropylethylamine

C8H19N

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

结构：Cc1cc(Oc2cccnc2)c(S(C)(=O)=O)cc1C(=O)O

HCID19360331

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Oc2cccnc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

HCID10712709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49f4f79d353d467b8efded2245750654
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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