HRID296371

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID28557

18-Crown-6

C12H24O6

HCID4574913

未命名化合物

HCID53956116

未命名化合物

HCID54323769

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1CCC(Cn1nc(C(c3ccccc3)c3ccccc3)ccc1=O)=C2

HCID70187767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf245e7933af4d8281ae29205ff0f6b2
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

[Br:45][CH2:46][C:47]1=[CH:56][c:55]2[c:50]([c:51]([O:57][CH3:58])[cH:52][cH:53][cH:54]2)[CH2:49][CH2:48]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[ClH:59].[K+:6].[O:7]1[CH2:8][CH2:9][O:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][O:16][CH2:17][CH2:18][O:19][CH2:20][CH2:21][O:22][CH2:23][CH2:24]1.[c:25]1([CH:31]([c:32]2[cH:33][cH:34][c:35](=[O:38])[nH:36][n:37]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:25]1([CH:31]([c:32]2[cH:33][cH:34][c:35](=[O:38])[n:36]([CH2:46][C:47]3=[CH:56][c:55]4[c:50]([c:51]([O:57][CH3:58])[cH:52][cH:53][cH:54]4)[CH2:49][CH2:48]3)[n:37]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1