HRID2344375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2121162

4-(chloromethyl)-1-phenyl-1H-pyrazole

C10H9ClN2

HCID4574913

未命名化合物

结构：CCc1cnc(NCCc2csc(SC(C)(C)C(=O)OC(C)(C)C)n2)nc1

HCID59758871

未命名化合物

PRODUCTS

生成物

结构：CCc1cnc(N(CCc2csc(SC(C)(C)C(=O)OC(C)(C)C)n2)Cc2cnn(-c3ccccc3)c2)nc1

HCID59758930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d86a76550ecb473ea5cfc9590157d0d9
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])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][NH:18][c:19]2[n:20][cH:21][c:22]([CH2:25][CH3:26])[cH:23][n:24]2)[n:15]1)=[O:27].[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:28][CH2:29][c:30]1[cH:31][n:32][n:33](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:34]1.[K+:46].[OH2:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][N:18]([c:19]2[n:20][cH:21][c:22]([CH2:25][CH3:26])[cH:23][n:24]2)[CH2:29][c:30]2[cH:31][n:32][n:33](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:34]2)[n:15]1)=[O:27]