HRID2310635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6590

2-Methylpropanoic acid

C4H8O2

HCID28123

Tetrahydroborate

H4B-

HCID11778072

未命名化合物

HCID75985273

未命名化合物

PRODUCTS

生成物

HCID20747801

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5040a388012492f896e2161b65b021d
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

[BH4-:7].[CH3:1][CH:2]([C:3](=[O:4])[OH:5])[CH3:6].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Na+:8].[c:31]1([CH:37]([CH3:38])[NH:39][C:40]2=[C:41]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[CH2:42][CH2:43][CH2:44][CH2:45]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:9]1([CH:10]([N:11]2[CH:12]3[CH:13]([CH2:14][CH2:15][CH2:16][CH2:17]3)[CH2:18][CH:19]2[C:20]([O:21][CH2:22][CH3:23])=[O:24])[CH3:25])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:31]1([CH:37]([CH3:38])[NH:39][CH:40]2[CH:41]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[CH2:42][CH2:43][CH2:44][CH2:45]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1