HRID146141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID46838908

4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline

C13H18F3N3

HCID67021622

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-n2cnc3cccnc32)ccc1CC(=O)Nc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1

HCID67021656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a251ec4962648828d4957ae09b97285
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

[CH3:21][N:22]1[CH2:23][CH2:24][N:25]([CH2:28][c:29]2[c:30]([C:36]([F:37])([F:38])[F:39])[cH:31][c:32]([NH2:35])[cH:33][cH:34]2)[CH2:26][CH2:27]1.[CH3:43][OH:44].[Cl:40][CH2:41][Cl:42].[n:1]1[cH:2][n:3](-[c:10]2[cH:11][c:12]([CH3:20])[c:13]([CH2:16][C:17](=[O:18])[OH:19])[cH:14][cH:15]2)[c:4]2[n:5][cH:6][cH:7][cH:8][c:9]12>>[n:1]1[cH:2][n:3](-[c:10]2[cH:11][c:12]([CH3:20])[c:13]([CH2:16][C:17](=[O:19])[NH:35][c:32]3[cH:31][c:30]([C:36]([F:37])([F:38])[F:39])[c:29]([CH2:28][N:25]4[CH2:24][CH2:23][N:22]([CH3:21])[CH2:27][CH2:26]4)[cH:34][cH:33]3)[cH:14][cH:15]2)[c:4]2[n:5][cH:6][cH:7][cH:8][c:9]12