HRID672044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

结构：O=C(c1ccccc1)N1CCN(Cc2ccc(OC3CCNCC3)cc2)CC1

HCID57935703

Phenyl[4-({4-[(piperidin-4-yl)oxy]phenyl}methyl)piperazin-1-yl]methanone

C23H29N3O2

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1

HCID68697319

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2ccc(CN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1

HCID57935825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79c4857c305c4e91a560f6711a9db5e3
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

[C:29]([CH3:30])([CH3:31])([O:32][C:33]([N:34]1[CH2:35][CH2:36][N:37]([CH2:38][c:39]2[cH:40][cH:41][c:42]([O:43][CH2:44][CH2:45][CH2:46][N:47]3[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]3)[cH:53][cH:54]2)[CH2:55][CH2:56]1)=[O:57])[CH3:58].[CH3:59][C:60](=[O:61])[CH3:62].[c:1]1([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([CH2:15][c:16]3[cH:17][cH:18][c:19]([O:22][CH:23]4[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]4)[cH:20][cH:21]3)[CH2:13][CH2:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([CH2:15][c:16]3[cH:17][cH:18][c:19]([O:22][CH:23]4[CH2:24][CH2:25][N:26]([CH:29]([CH3:30])[CH3:31])[CH2:27][CH2:28]4)[cH:20][cH:21]3)[CH2:13][CH2:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1