HRID284936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID57431445

4-[[4-(1-Methylethyl)-1-piperazinyl]methyl]-3-(trifluoromethyl)benzenamine

C15H22F3N3

HCID67021622

未命名化合物

PRODUCTS

生成物

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

HCID67021607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae4d2343d1b44bcdb503a626ec6c5085
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

[CH3:45][OH:46].[CH:21]([CH3:22])([CH3:23])[N:24]1[CH2:25][CH2:26][N:27]([CH2:30][c:31]2[c:32]([C:38]([F:39])([F:40])[F:41])[cH:33][c:34]([NH2:37])[cH:35][cH:36]2)[CH2:28][CH2:29]1.[Cl:42][CH2:43][Cl:44].[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:37][c:34]3[cH:33][c:32]([C:38]([F:39])([F:40])[F:41])[c:31]([CH2:30][N:27]4[CH2:26][CH2:25][N:24]([CH:21]([CH3:22])[CH3:23])[CH2:29][CH2:28]4)[cH:36][cH:35]3)[cH:14][cH:15]2)[c:4]2[n:5][cH:6][cH:7][cH:8][c:9]12