HRID1145524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14979290

N-Methyl-2-(4-methylpiperazin-1-yl)ethan-1-amine

C8H19N3

结构：CSC1NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1

HCID86656522

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCN(C)C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)CC1

HCID67348992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7a5ea0850804753920737ec2ac199eb
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

[CH3:31][NH:32][CH2:33][CH2:34][N:35]1[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]1.[Cl:1][c:2]1[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[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:24])[NH:19][CH:20]([S:22][CH3:23])[S:21]4)[cH:13][cH:14][c:15]23)[cH:25][cH:26]1>>[Cl:1][c:2]1[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[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:24])[N:19]=[C:20]([N:32]([CH3:31])[CH2:33][CH2:34][N:35]5[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:25][cH:26]1