HRID680332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2794808

4-(Piperazin-1-yl)furo[3,2-c]pyridine

C11H13N3O

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：O=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCN(c2nccc3occc23)CC1

HCID58327808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebf6ec0e4d984a468cec855bb165f6d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[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.[o:32]1[cH:33][cH:34][c:35]2[c:36]([N:41]3[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]3)[n:37][cH:38][cH:39][c:40]12>>[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:44]5[CH2:43][CH2:42][N:41]([c:36]6[c:35]7[cH:34][cH:33][o:32][c:40]7[cH:39][cH:38][n:37]6)[CH2:46][CH2:45]5)[cH:25][cH:26]4)[cH:17]3)[NH:11][CH2:12][CH2:13]2)[cH:27]1