HRID2349285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID83545

Methyl N-methylglycinate

C4H9NO2

HCID2724942

未命名化合物

结构：CN(C)C(=O)c1cc(C=O)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID86604648

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CNCCc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1

HCID66676715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-756001543986466a962717778838b834
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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