HRID1230250

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+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID66839380

1-Amino-3-(3,4,5-trifluorophenyl)-2-piperidinone

C11H11F3N2O

HCID66839516

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=CC(=O)NN2CCCC(c3cc(F)c(F)c(F)c3)C2=O)ccc1-n1cnc(C)c1

HCID66839334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b4ebe31a8cb47e18de16b3c22bbb83e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:49](=[O:50])([OH:51])[O-:52].[CH2:65]([Cl:66])[CH2:67][Cl:68].[CH3:29][O:30][c:31]1[cH:32][c:33]([CH:43]=[CH:44][C:45](=[O:46])[OH:47])[cH:34][cH:35][c:36]1-[n:37]1[cH:38][n:39][c:40]([CH3:42])[cH:41]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[ClH:11].[NH2:12][N:13]1[C:14](=[O:28])[CH:15]([c:19]2[cH:20][c:21]([F:27])[c:22]([F:26])[c:23]([F:25])[cH:24]2)[CH2:16][CH2:17][CH2:18]1.[Na+:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:48].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[NH:12]([N:13]1[C:14](=[O:28])[CH:15]([c:19]2[cH:20][c:21]([F:27])[c:22]([F:26])[c:23]([F:25])[cH:24]2)[CH2:16][CH2:17][CH2:18]1)[C:45]([CH:44]=[CH:43][c:33]1[cH:32][c:31]([O:30][CH3:29])[c:36](-[n:37]2[cH:38][n:39][c:40]([CH3:42])[cH:41]2)[cH:35][cH:34]1)=[O:46]