Ethanol → 4-[4-(1-Propylamino-cyclopropyl)-phenylethynyl]-benzoic acid
Reaction equation
[CH2:1]([CH2:2][CH3:3])[NH:4][C:5]1([c:8]2[cH:9][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)[CH2:6][CH2:7]1.[CH3:29][CH2:30][OH:31].[Na+:28].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH-:27]>>[CH2:1]([CH2:2][CH3:3])[NH:4][C:5]1([c:8]2[cH:9][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)[CH2:6][CH2:7]1Participants
6
Sources & evidence
- ORD record
- ord-e1dfdeb716dc4758a2c09a94a445ac22
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…