HRID298582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID84468

Trifluoroacetate

C2F3O2-

结构：CC(C)(C)c1nc2cc(S(=O)(=O)Cl)ccc2n1CC1CCC(F)(F)CC1

HCID57937294

未命名化合物

HCID178524565

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc2cc(S(=O)(=O)N3CCC(C(=O)O)C3)ccc2n1CC1CCC(F)(F)CC1

HCID178441535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5214faa8ae534492b6e94b756a6e5729
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

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