Hydrochloric Acid → 2-(1-hydroxyethyl)-N-{1-[3-(1-naphthylmethyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-5-phenylpentanamide

HRID 192922Notes

Reaction equation

HRID 192922 reaction equation
[CH2:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH:32]([CH3:33])[CH3:34])[CH3:35].[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[ClH:36].[NH2:48][CH:49]([CH3:50])[c:51]1[c:52](=[O:68])[nH:53][c:54]([CH2:57][c:58]2[cH:59][cH:60][cH:61][c:62]3[cH:63][cH:64][cH:65][cH:66][c:67]23)[n:55][n:56]1.[OH:17][n:18]1[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1.[OH:1][CH:2]([CH3:3])[CH:4]([C:5](=[O:6])[OH:7])[CH2:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[OH:1][CH:2]([CH3:3])[CH:4]([C:5](=[O:7])[NH:48][CH:49]([CH3:50])[c:51]1[c:52](=[O:68])[nH:53][c:54]([CH2:57][c:58]2[cH:59][cH:60][cH:61][c:62]3[cH:63][cH:64][cH:65][cH:66][c:67]23)[n:55][n:56]1)[CH2:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 183340382-(1-Hydroxyethyl)-5-phenylpentanoic acidHCID 1358247226-(1-aminoethyl)-3-(1-naphthylmethyl)-1,2,4-triazin-5(4H)-one

Product 1

HCID 1358247242-(1-hydroxyethyl)-N-{1-[3-(1-naphthylmethyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-5-phenylpentanamide

Sources & evidence

ORD record
ord-c2d3fb623f0a42dcab6de5878bfc9ba0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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