HRID135403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78607

1,4′-Bipiperidine

C10H20N2

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID12094449

未命名化合物

PRODUCTS

生成物

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc1C(F)(F)F

HCID12094441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b87455e072264ad6925e59760f22f8b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[N:38]1([CH:44]2[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]2)[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[NH2:1][c:2]1[c:3]([Cl:37])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:29])[NH:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[CH2:28]3)[CH2:17][CH2:18]2)=[O:30])[cH:31][c:32]1[C:33]([F:34])([F:35])[F:36]>>[NH2:1][c:2]1[c:3]([Cl:37])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[N:47]2[CH2:46][CH2:45][CH:44]([N:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[CH2:49][CH2:48]2)[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:29])[NH:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[CH2:28]3)[CH2:17][CH2:18]2)=[O:30])[cH:31][c:32]1[C:33]([F:34])([F:35])[F:36]