Acetic Acid → 4-(4-Benzylpiperazin-1-yl)aniline
Reaction equation
[C:26]([OH:27])(=[O:28])[CH3:29].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([N+:20]([O-:21])=[O:22])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH2:30]([OH:31])[CH3:32].[Ca+2:25].[Cl-:23].[Cl-:24].[OH2:33].[Zn:34]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1Participants
8
Sources & evidence
- ORD record
- ord-18e39e017f7149389c094607009258bb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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