HRID665809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID239

beta-Alanine

C3H7NO2

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID14801

Manganese oxide (Mn2O4)

MnO2

HCID28123

Tetrahydroborate

H4B-

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(=NOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CO)cc1

HCID86595996

未命名化合物

PRODUCTS

生成物

结构：CC(=NOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1

HCID72954416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00f8102578754f60bf402258db095fb8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH4-:43].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[F:1][C:2]([c:3]1[c:4](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:5][cH:6][c:7]([CH2:9][O:10][N:11]=[C:12]([CH3:13])[c:14]2[cH:15][cH:16][c:17]([CH2:20][OH:21])[cH:18][cH:19]2)[cH:8]1)([F:28])[F:29].[NH2:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35].[Na+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[O:51]=[Mn:52]=[O:53]>>[F:1][C:2]([c:3]1[c:4](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:5][cH:6][c:7]([CH2:9][O:10][N:11]=[C:12]([CH3:13])[c:14]2[cH:15][cH:16][c:17]([CH2:20][NH:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:18][cH:19]2)[cH:8]1)([F:28])[F:29]