HRID123300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID19660

Carbonate

CO3-2

HCID77039

N-Methylhomoveratrylamine

C11H17NO2

结构：Cc1ccc(-c2cccc(C=CC(=O)Nc3ccc(CCl)cc3)c2)cc1

HCID54107296

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccc(CCN(C)Cc2ccc(NC(=O)C=Cc3cccc(-c4ccc(C)cc4)c3)cc2)cc1OC

HCID54376362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-976c8a3e4280408e8348a2eb21ff6920
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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