HRID1570748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID24688811

未命名化合物

HCID178463384

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NC(C)c2nc3cc(Cl)ccc3[nH]2)ccc1N1CCCS1(=O)=O

HCID178427053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a40dfcbc57bc4e8787e1a62391298973
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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