HRID2128617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID424361

4-Aminopiperidine

C5H12N2

结构：Cc1ccc(NC(=O)c2ccsc2)cc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID11947980

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccsc2)cc1-c1nc(N2CCC(N)CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID11948023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30fc1cbaf89b4faa9861ca38e2a1e70e
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

[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:38])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([S:34]([CH3:35])(=[O:36])=[O:37])[n:17][c:18]3-[c:19]2[cH:20][c:21]([NH:26][C:27](=[O:28])[c:29]3[cH:30][s:31][cH:32][cH:33]3)[cH:22][cH:23][c:24]2[CH3:25])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[NH:39]1[CH2:40][CH2:41][CH:42]([NH2:45])[CH2:43][CH2:44]1>>[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:38])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([N:39]2[CH2:40][CH2:41][CH:42]([NH2:45])[CH2:43][CH2:44]2)[n:17][c:18]3-[c:19]2[cH:20][c:21]([NH:26][C:27](=[O:28])[c:29]3[cH:30][s:31][cH:32][cH:33]3)[cH:22][cH:23][c:24]2[CH3:25])[c:4]([F:8])[cH:5][cH:6][cH:7]1