HRID110119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID18321046

3-(Piperidin-4-yl)quinolin-2(1H)-one

C14H16N2O

结构：COCCN1Cc2c(cc(Br)c3[nH]ncc23)CC(CC(=O)O)C1=O

HCID68824753

未命名化合物

结构：CC(C)(C)CN1Cc2c(cc(Cl)c3[nH]ncc23)CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O

HCID68826478

未命名化合物

PRODUCTS

生成物

结构：COCCN1Cc2c(cc(Br)c3[nH]ncc23)CC(CC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1=O

HCID68827689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8f33a32bbe74a95b6e9b7f436d77f52
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

[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]13)[CH2:11][N:12]([CH2:21][CH2:22][O:23][CH3:24])[C:13](=[O:20])[CH:14]([CH2:16][C:17](=[O:18])[OH:19])[CH2:15]2.[Cl:43][c:44]1[c:45]2[nH:46][n:47][cH:48][c:49]2[c:50]2[c:82]([cH:83]1)[CH2:81][CH:60]([CH2:61][C:62](=[O:63])[N:64]1[CH2:65][CH2:66][CH:67]([N:68]3[CH2:69][c:70]4[c:71]([cH:72][cH:73][cH:74][cH:75]4)[NH:76][C:77]3=[O:78])[CH2:79][CH2:80]1)[C:58](=[O:59])[N:52]([CH2:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH2:51]2.[ClH:25].[NH:26]1[CH2:27][CH2:28][CH:29]([c:32]2[c:33](=[O:42])[nH:34][c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]3[cH:41]2)[CH2:30][CH2:31]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]13)[CH2:11][N:12]([CH2:21][CH2:22][O:23][CH3:24])[C:13](=[O:20])[CH:14]([CH2:16][C:17](=[O:18])[N:26]1[CH2:27][CH2:28][CH:29]([c:32]3[c:33](=[O:42])[nH:34][c:35]4[cH:36][cH:37][cH:38][cH:39][c:40]4[cH:41]3)[CH2:30][CH2:31]1)[CH2:15]2