HRID1562153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID18399610

2-tert-Butyl-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine

C13H19F3N4

HCID59234645

未命名化合物

PRODUCTS

生成物

结构：Cc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)c1

HCID15949564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-457fa00589c24bb494585ec63df68b45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[n:19][c:20]([C:30]([F:31])([F:32])[F:33])[cH:21][c:22]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[n:23]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:42][S:43](=[O:44])[CH3:45].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][n:6]1[c:7](=[O:13])[cH:8][c:9]([CH3:12])[cH:10][cH:11]1.[OH2:41]>>[CH2:2]([CH2:3][CH2:4][CH2:5][n:6]1[c:7](=[O:13])[cH:8][c:9]([CH3:12])[cH:10][cH:11]1)[N:27]1[CH2:26][CH2:25][N:24]([c:22]2[cH:21][c:20]([C:30]([F:31])([F:32])[F:33])[n:19][c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[n:23]2)[CH2:29][CH2:28]1