HRID1142675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22647295

tert-Butyl 4-(1-aminoethyl)piperidine-1-carboxylate

C12H24N2O2

结构：Cc1ccc(S(=O)(=O)n2cc(-c3nc(Oc4c(F)c(F)c(F)c(F)c4F)ncc3C#N)c3cc(C(F)(F)F)cnc32)cc1

HCID59414378

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cc(-c3nc(NC(C)C4CCN(C(=O)OC(C)(C)C)CC4)ncc3C#N)c3cc(C(F)(F)F)cnc32)cc1

HCID178427350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0f9f656989141b49e49399cea3a7803
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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