Ethanol → 4-[4-(1-Benzylmethylamino-cyclopropyl)-phenylethynyl]-benzoic acid
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][NH:9][C:10]1([c:13]2[cH:14][cH:15][c:16]([C:19]#[C:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31]3)[cH:17][cH:18]2)[CH2:11][CH2:12]1.[CH3:34][CH2:35][OH:36].[Na+:33].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:32]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][NH:9][C:10]1([c:13]2[cH:14][cH:15][c:16]([C:19]#[C:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:30][cH:31]3)[cH:17][cH:18]2)[CH2:11][CH2:12]1Participants
6
Sources & evidence
- ORD record
- ord-4f79a87daf534549b784a26747f93bcf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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