HRID186083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID11358825

1-(6-Chloronaphthalene-2-sulfonyl)piperazine

C14H15ClN2O2S

HCID11845085

tert-Butyl 2-formyl-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

C13H17NO3S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2sc(CN3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2C1

HCID22710093

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67f35cdc5229457b95032acf58afc4e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([s:14][c:15]([CH:17]=[O:18])[cH:16]2)[CH2:12][CH2:13]1.[Cl:20][c:21]1[cH:22][c:23]2[cH:24][cH:25][c:26]([S:31](=[O:32])(=[O:33])[N:34]3[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]3)[cH:27][c:28]2[cH:29][cH:30]1.[ClH:19]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([s:14][c:15]([CH2:17][N:37]3[CH2:36][CH2:35][N:34]([S:31]([c:26]4[cH:25][cH:24][c:23]5[cH:22][c:21]([Cl:20])[cH:30][cH:29][c:28]5[cH:27]4)(=[O:32])=[O:33])[CH2:39][CH2:38]3)[cH:16]2)[CH2:12][CH2:13]1