Amantadine → 2-[N'(t-butoxycarbonyl)-N-propylamino]acetic acid N-(1-adamantyl)amide

HRID 2336305Notes

Reaction equation

HRID 2336305 reaction equation
[C:16]12([NH2:26])[CH2:17][CH:18]3[CH2:19][CH:20]([CH2:21][CH:22]([CH2:23]1)[CH2:24]3)[CH2:25]2.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][CH3:11])[CH2:12][C:13](=[O:14])[OH:15].[CH2:60]([Cl:61])[Cl:62].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][CH3:11])[CH2:12][C:13](=[O:15])[NH:26][C:16]12[CH2:17][CH:18]3[CH2:19][CH:20]([CH2:21][CH:22]([CH2:23]1)[CH2:24]3)[CH2:25]2

Participants

7

Reactant 6

HCID 2130AmantadineHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 121366292-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid

Product 1

HCID 121366302-[N'(t-butoxycarbonyl)-N-propylamino]acetic acid N-(1-adamantyl)amide

Sources & evidence

ORD record
ord-48b444a3b31a47ae8d55139da5bee678
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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