Acetonitrile → tert-butyl N-[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]but-2-enyl]carbamate

HRID 138115Notes

Reaction equation

HRID 138115 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23]([NH:24][CH2:25][CH:26]=[CH:27][CH2:28][Cl:29])=[O:30].[CH3:1][c:2]1[c:3]([CH2:8][NH:9][CH2:10][c:11]2[n:12][cH:13][cH:14][cH:15][c:16]2[CH3:17])[n:4][cH:5][cH:6][cH:7]1.[CH3:31][C:32]#[N:33].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42]>>[CH3:1][c:2]1[c:3]([CH2:8][N:9]([CH2:10][c:11]2[n:12][cH:13][cH:14][cH:15][c:16]2[CH3:17])[CH2:28][CH:27]=[CH:26][CH2:25][NH:24][C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:30])[n:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 45098010Bis-(3-methyl-pyridin-2-ylmethyl)-amineHCID 71438464(4-Chloro-but-2-enyl)-carbamic acid tert-butyl ester

Product 1

HCID 67272353tert-butyl N-[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]but-2-enyl]carbamate

Sources & evidence

ORD record
ord-baf471714ddc42159796ab1b1424c441
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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