Acetic Acid → 2-[Benzyl({3-chloro-5-[methyl(1-methylethyl)amino]pyrazin-2-yl}methyl)amino]ethanol

HRID 1121658Notes

Reaction equation

HRID 1121658 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:40](=[O:41])([O-:42])[O-:43].[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[NH:36][CH2:37][CH2:38][OH:39].[CH3:46][C:47]#[N:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][C:56](=[O:57])[OH:58].[Cl:15][c:16]1[c:17]([CH:27]=[O:28])[n:18][cH:19][c:20]([N:22]([CH:23]([CH3:24])[CH3:25])[CH3:26])[n:21]1.[K+:44].[K+:45].[Na+:14]>>[Cl:15][c:16]1[c:17]([CH2:27][N:36]([CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:37][CH2:38][OH:39])[n:18][cH:19][c:20]([N:22]([CH:23]([CH3:24])[CH3:25])[CH3:26])[n:21]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 4348BenzylethanolamineHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 86648985HCID 86648985, compound

Product 1

HCID 866489842-[Benzyl({3-chloro-5-[methyl(1-methylethyl)amino]pyrazin-2-yl}methyl)amino]ethanol

Sources & evidence

ORD record
ord-e3ef457c7325486c8b2d34ab16ef5154
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…