Methanol → (4-dipropylaminobutyl)-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)carbamic Acid t-butyl Ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH2:9][CH2:10][CH2:11][N:12]([CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18])[CH2:19][c:20]1[cH:21][cH:22][c:23]([CH2:26][NH2:27])[cH:24][cH:25]1)=[O:28].[CH3:36][OH:37].[nH:29]1[c:30]([CH:34]=[O:35])[n:31][cH:32][cH:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH2:9][CH2:10][CH2:11][N:12]([CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18])[CH2:19][c:20]1[cH:21][cH:22][c:23]([CH2:26][NH:27][CH2:34][c:30]2[nH:29][cH:33][cH:32][n:31]2)[cH:24][cH:25]1)=[O:28]Participants
4
Sources & evidence
- ORD record
- ord-98281ca667704972a2ec337d10850762
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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