HRID101665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

3 次

HCID6569

Methyl ethyl ketone

C4H8O

HCID12316

1-Chloro-2-methoxyethane

C3H7ClO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

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

PRODUCTS

生成物

结构：COCCN1CCC(Oc2ccc(CN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1

HCID57935833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5ae837ee0e54d81b2e2e4b9f6905121
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

[C:34](=[O:35])([O-:36])[O-:37].[CH3:42][C:43](=[O:44])[CH2:45][CH3:46].[CH3:47][C:48](=[O:49])[OH:50].[Cl:29][CH2:30][CH2:31][O:32][CH3:33].[I-:41].[K+:38].[K+:39].[K+:40].[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]([CH2:30][CH2:31][O:32][CH3:33])[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