Ethanol → {4-[4-(1-Isopropoxycyclopropyl)-3-ethyl-phenylethynyl]-phenyl}-acetic acid
Reaction equation
[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][c:16]([CH2:27][CH3:28])[c:17]([C:20]3([O:23][CH:24]([CH3:25])[CH3:26])[CH2:21][CH2:22]3)[cH:18][cH:19]2)[cH:10][cH:11]1.[CH3:32][C:33]#[N:34].[CH3:35][CH2:36][OH:37].[Na+:30].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:29].[OH2:31]>>[CH2:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][c:16]([CH2:27][CH3:28])[c:17]([C:20]3([O:23][CH:24]([CH3:25])[CH3:26])[CH2:21][CH2:22]3)[cH:18][cH:19]2)[cH:10][cH:11]1Participants
8
Sources & evidence
- ORD record
- ord-80edc6c8d4d6414398e569e5a1837dbe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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