Acetic Acid → 1-[4-(2-Tert-butyl-5-nitro-phenyl)-but-3-enyl]-pyrrolidine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([CH:14]=[CH:15][CH2:16][CH:17]=[O:18])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1.[C:41]([OH:42])(=[O:43])[CH3:44].[CH2:19]1[CH2:20][CH2:21][NH:22][CH2:23]1.[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[Na+:28].[Na+:30].[O-:24][C:25]([OH:26])=[O:27].[OH-:29]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([CH:14]=[CH:15][CH2:16][CH2:17][N:22]2[CH2:21][CH2:20][CH2:19][CH2:23]2)[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1Participants
9
Sources & evidence
- ORD record
- ord-1d68ccac31ed4261991cd5517c3de7e7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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