HRID302461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID11043962

未命名化合物

HCID15057314

Hexahydro-1-[2-(3-piperidinyl)ethyl]-1H-azepine

C13H26N2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C1Nc2cccnc2N(C(=O)N2CCCC(CCN3CCCCCC3)C2)c2ccccc21

HCID14369656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-151260f7f7c34b0ebbac285cc66d343c
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

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