HRID1139194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21468403

N-Methyl-N-(piperidin-4-yl)acetamide

C8H16N2O

结构：CCCSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1

HCID67240934

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(C)C1CCN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)CC1

HCID67240525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f1b8fe83a7840c28ae7eeddaba123d4
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

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