Acetic Acid → Ethyl 4-hydroxy-4-(4,5-dimethoxy-2-nitrophenyl)-2-butynoate
Reaction equation
[CH3:13][CH2:14][O:15][C:16](=[O:17])[C:18]#[CH:19].[CH3:20][O:21][c:22]1[cH:23][c:24]([N+:32](=[O:33])[O-:34])[c:25]([CH:26]=[O:27])[cH:28][c:29]1[O:30][CH3:31].[CH3:35][C:36](=[O:37])[OH:38].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[Li:1][CH2:2][CH2:3][CH2:4][CH3:5].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:44]>>[CH3:13][CH2:14][O:15][C:16](=[O:17])[C:18]#[C:19][CH:26]([c:25]1[c:24]([N+:32](=[O:33])[O-:34])[cH:23][c:22]([O:21][CH3:20])[c:29]([O:30][CH3:31])[cH:28]1)[OH:27]Participants
8
Sources & evidence
- ORD record
- ord-ed05987c5aa641069873c38d6bead436
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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