HRID315581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

2 次

HCID971

Oxalic acid

C2H2O4

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID286779

5-(3-chloropropyl)-10,11-dihydro-5h-dibenzo[b,f]azepine

C17H18ClN

HCID2724440

4-(4-Fluorobenzoyl)piperidine

C12H14FNO

PRODUCTS

生成物

结构：O=C(c1ccc(F)cc1)C1CCN(CCCN2c3ccccc3CCc3ccccc32)CC1

HCID21524458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecaeb858760545c1a5f601a63eda1a2f
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

[C:35](=[O:36])([O-:37])[O-:38].[C:43]([OH:44])(=[O:45])[C:46]([OH:47])=[O:48].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH:49]([OH:50])([CH3:51])[CH3:52].[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[F:20][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[CH:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:33][cH:34]1.[K+:39].[K+:40].[OH2:41].[OH2:42]>>[CH2:2]([CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[N:30]1[CH2:29][CH2:28][CH:27]([C:25]([c:24]2[cH:23][cH:22][c:21]([F:20])[cH:34][cH:33]2)=[O:26])[CH2:32][CH2:31]1