HRID88225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

6 次

HCID8028

Tetrahydrofuran

C4H8O

HCID24385

未命名化合物

HCID28123

Tetrahydroborate

H4B-

结构：COc1cc(N2CCC(N3CCN(C(C)=O)CC3)CC2)ccc1[N+](=O)[O-]

HCID57416149

1-{4-[1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl]piperazin-1-yl}ethan-1-one

C18H26N4O4

PRODUCTS

生成物

结构：COc1cc(N2CCC(N3CCN(C(C)=O)CC3)CC2)ccc1N

HCID57416148

1-{4-[1-(4-Amino-3-methoxyphenyl)piperidin-4-yl]piperazin-1-yl}ethan-1-one

C18H28N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-543792b43da7488e9bbfc40a14394eed
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

[BH4-:1].[C:3]([CH3:4])(=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([CH:12]2[CH2:13][CH2:14][N:15]([c:18]3[cH:19][c:20]([O:27][CH3:28])[c:21]([N+:24]([O-:25])=[O:26])[cH:22][cH:23]3)[CH2:16][CH2:17]2)[CH2:10][CH2:11]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:29][OH:30].[Na+:2].[Ni:37]([Cl:38])[Cl:39].[OH2:31].[OH2:32].[OH2:33].[OH2:34].[OH2:35].[OH2:36]>>[C:3]([CH3:4])(=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([CH:12]2[CH2:13][CH2:14][N:15]([c:18]3[cH:19][c:20]([O:27][CH3:28])[c:21]([NH2:24])[cH:22][cH:23]3)[CH2:16][CH2:17]2)[CH2:10][CH2:11]1