Ethanol → 4-{4-[(Cyclopropyl-ethyl-amino)-methyl]-3-isopropyl-phenylethynyl}-benzoic acid
Reaction equation
[CH3:32][C:33]#[N:34].[CH3:35][CH2:36][OH:37].[CH:1]1([N:4]([CH2:5][CH3:6])[CH2:7][c:8]2[c:9]([CH:27]([CH3:28])[CH3:29])[cH:10][c:11]([C:14]#[C:15][c:16]3[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:25][cH:26]3)[cH:12][cH:13]2)[CH2:2][CH2:3]1.[Na+:31].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:30]>>[CH:1]1([N:4]([CH2:5][CH3:6])[CH2:7][c:8]2[c:9]([CH:27]([CH3:28])[CH3:29])[cH:10][c:11]([C:14]#[C:15][c:16]3[cH:17][cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:25][cH:26]3)[cH:12][cH:13]2)[CH2:2][CH2:3]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-043c22d5bd3e4bfeb3640e058f5b6a69
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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