Acetic Acid → N-{4-[(4-butylphenyl)ethynyl]benzyl)-1-hexanamine
Reaction equation
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20]2)[cH:9][cH:10]1.[CH2:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[NH2:27].[CH3:28][C:29](=[O:30])[OH:31].[Cl:46][CH2:47][Cl:48].[Na+:45]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:27][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:19][cH:20]2)[cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-8e253f822cff4233930301635ae24719
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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