HRID172416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID98210

3-Pyrrolidinol

C4H9NO

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

HCID57937294

未命名化合物

PRODUCTS

生成物

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

HCID178441538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10586f38e54046b29d56b543c7190820
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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.[CH2:43]([Cl:44])[Cl:45].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[ClH:36].[NH:37]1[CH2:38][CH:39]([OH:42])[CH2:40][CH2:41]1>>[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:37]1[CH2:38][CH:39]([OH:42])[CH2:40][CH2:41]1)[cH:22]2