HRID815401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID8471

Triethylamine

C6H15N

HCID66769

Pyrazine, 2-chloro-3-methyl-

C5H5ClN2

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：Cc1nccnc1N1CCN(C(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)CC1

HCID20392888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-944ee500646346479cd5b8ee4bc85ba9
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:30][c:31]1[n:32][cH:33][cH:34][n:35][c:36]1[CH3:37].[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:45][CH2:46][CH2:47][OH:48]>>[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[n:32][cH:33][cH:34][n:35][c:36]5[CH3:37])[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]