HRID111967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID88393

3-(Methylaminomethyl)pyridine

C7H10N2

结构：CCCSC1NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1

HCID86656530

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cccnc1)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1

HCID67346555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15b266a27c8b485b85ca532966545f98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:33][NH:34][CH2:35][c:36]1[cH:37][n:38][cH:39][cH:40][cH:41]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])[NH:19][CH: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:34]([CH3:33])[CH2:35][c:36]5[cH:37][n:38][cH:39][cH:40][cH:41]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:27][cH:28]1