HRID1234656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6380

Tetramethylammonium ion(1+)

C4H12N+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID552549

(Trifluoromethyl)trimethylsilane

C4H9F3Si

结构：Cc1ccc(S(=O)(=O)n2ccc3nc(C=NS(=O)C(C)(C)C)cnc32)cc1

HCID67216761

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3nc(C(NS(=O)C(C)(C)C)C(F)(F)F)cnc32)cc1

HCID67999470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10d51910052842fbb4a49b86b25120a3
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

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:2][N+:3]([CH3:4])([CH3:5])[CH3:6].[CH3:34][Si:35]([C:36]([F:37])([F:38])[F:39])([CH3:40])[CH3:41].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH3:7][C:8]([CH3:9])([CH3:10])[S:11](=[O:12])[N:13]=[CH:14][c:15]1[n:16][c:17]2[c:18]([n:19][cH:20]1)[n:21]([S:24](=[O:25])(=[O:26])[c:27]1[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]1)[cH:22][cH:23]2.[Cl-:42].[F-:1].[NH4+:43]>>[CH3:7][C:8]([CH3:9])([CH3:10])[S:11](=[O:12])[NH:13][CH:14]([c:15]1[n:16][c:17]2[c:18]([n:19][cH:20]1)[n:21]([S:24](=[O:25])(=[O:26])[c:27]1[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]1)[cH:22][cH:23]2)[C:36]([F:37])([F:38])[F:39]