HRID152383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID2724942

未命名化合物

结构：O=Cc1ccc(Cn2nc(-c3ccc(C(F)(F)F)cc3)cc2CCc2ccccc2)cc1

HCID23157215

未命名化合物

HCID23157234

Ethyl 3-(4-amino-2-fluorophenyl)propanoate

C11H14FNO2

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(NCc2ccc(Cn3nc(-c4ccc(C(F)(F)F)cc4)cc3CCc3ccccc3)cc2)cc1F

HCID23157433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60c97250062a4652a489f0c52314c96b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:52]([O:53][BH-:54]([O:55][C:56](=[O:57])[CH3:58])[O:59][C:60](=[O:61])[CH3:62])(=[O:63])[CH3:64].[CH3:48][C:49](=[O:50])[OH:51].[Cl:71][CH2:72][CH2:73][Cl:74].[NH2:33][c:34]1[cH:35][c:36]([F:47])[c:37]([CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:38][cH:39]1.[Na+:65].[Na+:66].[OH:67][C:68](=[O:69])[O-:70].[c:1]1([CH2:7][CH2:8][c:9]2[cH:10][c:11](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[n:12][n:13]2[CH2:14][c:15]2[cH:16][cH:17][c:18]([CH:19]=[O:20])[cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][c:9]2[cH:10][c:11](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[n:12][n:13]2[CH2:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][NH:33][c:34]3[cH:35][c:36]([F:47])[c:37]([CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:38][cH:39]3)[cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1