HRID666941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID22275038

4-(Methanesulfonyl)piperidine

C6H13NO2S

结构：O=C(O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1

HCID67092525

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)C1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1

HCID67091899

2-[5-[(4-Fluorophenyl)methyl]-3-(4-pyridinyl)-1H-pyrazol-1-yl]-1-[4-(methylsulfonyl)-1-piperidinyl]ethanone

C23H25FN4O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdec0a7c9e7346348f9e5349b31d7c92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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