HRID188889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID123049

4,4'-Difluorobenzhydryl alcohol

C13H10F2O

HCID2832202

1-Azabicyclo[2.2.2]octane-3-carboxylic acid

C8H13NO2

PRODUCTS

生成物

结构：O=C(OC(c1ccc(F)cc1)c1ccc(F)cc1)C1CN2CCC1CC2

HCID70925939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c177fc8a3904e09aa4ff5d2353208ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:13]([Cl:14])[CH2:15][Cl:16].[CH3:62][CH2:63][O:64][CH2:65][CH3:66].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[ClH:1].[F:27][c:28]1[cH:29][cH:30][c:31]([CH:34]([OH:35])[c:36]2[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]2)[cH:32][cH:33]1.[N:2]12[CH2:3][CH:4]([C:10](=[O:11])[OH:12])[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2.[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:17][n:18]1[c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[n:25][n:26]1>>[N:2]12[CH2:3][CH:4]([C:10](=[O:11])[O:12][CH:34]([c:31]3[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]3)[c:36]3[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]3)[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2