HRID282513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22104579

4-Methylpiperidine-4-carboxylic acid

C7H13NO2

结构：CSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)S1

HCID86654543

未命名化合物

PRODUCTS

生成物

结构：CC1(C(=O)O)CCN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(C(F)(F)F)cc4C(F)(F)F)c3)S2)CC1

HCID86654570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b05db2595534f04bf5433bb16f72833
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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