HRID2314567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID31268

Pyrrolidine

C4H9N

结构：Cc1cc(C(C)NC(=O)C2CC2c2ccc(C(C)(C)C)nc2Cl)ccc1NS(C)(=O)=O

HCID91002937

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)NC(=O)C2CC2c2ccc(C(C)(C)C)nc2N2CCCC2)ccc1NS(C)(=O)=O

HCID76653693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ef2773a74714d269ee4beae29529d1c
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

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