HRID1221192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID8471

Triethylamine

C6H15N

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

HCID22638510

4-Chloro-2-methoxypyridine

C6H6ClNO

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)ccn1

HCID20392896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebc155d114424faea910a28a415371e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:30][c:31]1[cH:32][c:33]([O:37][CH3:38])[n:34][cH:35][cH:36]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([NH:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]4[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]4)[cH:26][cH:27]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1)([F:28])[F:29].[OH:46][CH2:47][CH2:48][OH:49]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([NH:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]4[CH2:21][CH2:22][N:23]([c:31]5[cH:32][c:33]([O:37][CH3:38])[n:34][cH:35][cH:36]5)[CH2:24][CH2:25]4)[cH:26][cH:27]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1)([F:28])[F:29]