HRID2313607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID2733287

未命名化合物

HCID3690873

2-methoxy-4-(trifluoromethyl)benzoic acid

C9H7F3O3

结构：CC(C)c1nnc(NS(=O)(=O)c2ccc(CCN)cc2)s1

HCID57586805

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(F)(F)F)ccc1C(=O)NCCc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1

HCID16118088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a14a3d0c1bc41a7a84075843ef83b5e
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

[B-:47]([F:48])([F:49])([F:50])[F:51].[CH2:52]([O:53][C:54]([C:55](=[N:56][O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[C:65]#[N:66])=[O:67])[CH3:68].[CH3:32][O:33][c:34]1[c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[ClH:1].[NH2:2][CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[s:16][c:17]([CH:20]([CH3:21])[CH3:22])[n:18][n:19]2)[cH:9][cH:10]1>>[NH:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[s:16][c:17]([CH:20]([CH3:21])[CH3:22])[n:18][n:19]2)[cH:9][cH:10]1)[C:36]([c:35]1[c:34]([O:33][CH3:32])[cH:42][c:41]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:39]1)=[O:37]