HRID97708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702318

2-Methyl-4-Piperazinoquinoline

C14H17N3

结构：O=C(O)c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1

HCID46906718

4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acid

C22H17ClF3N3O2

PRODUCTS

生成物

结构：Cc1cc(N2CCN(C(=O)c3ccc(-c4cnc5c(c4)N(Cc4cc(Cl)ccc4C(F)(F)F)CCN5)cc3)CC2)c2ccccc2n1

HCID58327833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ebcf2625af846a1b69aefaa435e217b
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

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