HRID111234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID74404

2-Chloropyrimidine

C4H3ClN2

结构：O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCNCC1

HCID3055243

(Piperazin-1-yl)(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)methanone

C21H19F3N4O

PRODUCTS

生成物

结构：O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCN(c2ncccn2)CC1

HCID20392863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-692ca176179444e0bae5a04610a708a1
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

[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][CH2:45][OH:46].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][n:7]1.[F:8][C:9]([c:10]1[cH:11][cH:12][c:13]2[c:14]([NH:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[N:27]4[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]4)[cH:33][cH:34]3)[cH:15][cH:16][n:17][c:18]2[cH:19]1)([F:35])[F:36]>>[c:2]1([N:30]2[CH2:29][CH2:28][N:27]([C:25]([c:24]3[cH:23][cH:22][c:21]([NH:20][c:14]4[c:13]5[cH:12][cH:11][c:10]([C:9]([F:8])([F:35])[F:36])[cH:19][c:18]5[n:17][cH:16][cH:15]4)[cH:34][cH:33]3)=[O:26])[CH2:32][CH2:31]2)[n:3][cH:4][cH:5][cH:6][n:7]1