HRID187993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID1117

Sulfate

O4S-2

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID13854

1H-Pyrrole-2-carboxaldehyde

C5H5NO

HCID28123

Tetrahydroborate

H4B-

结构：CC(C)(C)OC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CN

HCID60043799

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1ccc[nH]1

HCID178453317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc95da0984a94973947f34991e3e21bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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