HRID310588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID98698

1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine

C14H20N2

结构：O=CCCCOc1cc(C(F)(F)F)c2c(n1)NC(=O)CC2

HCID21073376

未命名化合物

PRODUCTS

生成物

结构：O=C1CCc2c(C(F)(F)F)cc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)nc2N1

HCID21073705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cca70f58a5d54e109b7daf38d7533cc2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[O:17]=[C:18]1[CH2:19][CH2:20][c:21]2[c:22]([C:34]([F:35])([F:36])[F:37])[cH:23][c:24]([O:28][CH2:29][CH2:30][CH2:31][CH:32]=[O:33])[n:25][c:26]2[NH:27]1.[c:1]1([N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:2][cH:3][cH:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][CH2:6]2>>[c:1]1([N:11]2[CH2:12][CH2:13][N:14]([CH2:32][CH2:31][CH2:30][CH2:29][O:28][c:24]3[cH:23][c:22]([C:34]([F:35])([F:36])[F:37])[c:21]4[c:26]([n:25]3)[NH:27][C:18](=[O:17])[CH2:19][CH2:20]4)[CH2:15][CH2:16]2)[cH:2][cH:3][cH:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][CH2:6]2