HRID2131877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8454

N-Methylpyrrolidine

C5H11N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID57586324

未命名化合物

HCID57586327

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(-c2nc(NC(=O)N(CCC(c3ccc(F)cc3)c3ccc(F)cc3)C3CC3)sc2Cl)cc1

HCID57586380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0564d9559dd44cf5b213df1bca3b43ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:28][N:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1.[Cl:18][C:19](=[O:20])[O:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[ClH:34].[F:35][c:36]1[cH:37][cH:38][c:39]([CH:42]([CH2:43][CH2:44][NH:45][CH:46]2[CH2:47][CH2:48]2)[c:49]2[cH:50][cH:51][c:52]([F:55])[cH:53][cH:54]2)[cH:40][cH:41]1.[NH2:1][c:2]1[s:3][c:4]([Cl:17])[c:5](-[c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH2:16])[cH:11][cH:12]2)[n:6]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1>>[NH:1]([c:2]1[s:3][c:4]([Cl:17])[c:5](-[c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH2:16])[cH:11][cH:12]2)[n:6]1)[C:19](=[O:20])[N:45]([CH2:44][CH2:43][CH:42]([c:39]1[cH:38][cH:37][c:36]([F:35])[cH:41][cH:40]1)[c:49]1[cH:50][cH:51][c:52]([F:55])[cH:53][cH:54]1)[CH:46]1[CH2:47][CH2:48]1