HRID207657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13365980

1,2-Benzisothiazol-3(2H)-one, 2-(4-bromobutyl)-5-chloro-, 1,1-dioxide

C11H11BrClNO3S

结构：O=c1n(CC(F)(F)F)c2cc(F)ccc2n1C1CCNCC1

HCID18695982

未命名化合物

PRODUCTS

生成物

结构：O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)n(CC(F)(F)F)c3cc(F)ccc32)CC1

HCID9830595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caf0e8d1175647f8a59fa2145fa16877
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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