Methanol → (4-{[(2-Cyano-ethyl)-(4-dipropylamino-butyl)-amino]-methyl}-benzyl)-carbamic acid t-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][NH:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]([CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH3:27])[cH:13][cH:14]1)=[O:28].[CH2:30]=[CH:31][C:32]#[N:33].[CH3:34][OH:35].[OH2:29]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][N:16]([CH2:17][CH2:18][CH2:19][CH2:20][N:21]([CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH3:27])[CH2:30][CH2:31][C:32]#[N:33])[cH:13][cH:14]1)=[O:28]Participants
5
Sources & evidence
- ORD record
- ord-7823ac61b516433b8f7b1e2029a91f54
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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