HRID1125658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID8058

Hexane

C6H14

HCID10988

1-Butanamine, 3-methyl-N-(3-methylbutyl)-

C10H23N

HCID20289915

未命名化合物

PRODUCTS

产物

HCID20395766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b0a6d9b9b19041158818d7c3c5abfa11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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