HRID669437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：OC1(c2ccccc2)CCN(CCC2COc3ccccc3O2)CC1

HCID21331984

1-[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl]-4-phenylpiperidin-4-ol

C21H25NO3

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)C(=O)OC1(c2ccccc2)CCN(CCC2COc3ccccc3O2)CC1

HCID21331971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-154c456b5b7d42398a53ce1014b97279
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:31]([C:32]([CH3:33])([CH3:34])[CH3:35])(=[O:36])[Cl:37].[CH2:26]([Li:27])[CH2:28][CH2:29][CH3:30].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH3:51][CH2:52][O:53][CH2:54][CH3:55].[Cl-:38].[NH4+:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH:1][C:2]1([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][CH:10]2[CH2:11][O:12][c:13]3[c:14]([cH:16][cH:17][cH:18][cH:19]3)[O:15]2)[CH2:6][CH2:7]1>>[ClH:37].[O:1]([C:2]1([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][CH:10]2[CH2:11][O:12][c:13]3[c:14]([cH:16][cH:17][cH:18][cH:19]3)[O:15]2)[CH2:6][CH2:7]1)[C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36]