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

HRID 1132300Notes

Reaction equation

HRID 1132300 reaction equation
[CH3:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[CH3:35][N:36]([CH3:37])[CH2:38][CH2:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH3:45].[ClH:34].[NH2:46][CH:47]([CH3:48])[c:49]1[c:50](=[O:64])[nH:51][c:52]([CH2:55][c:56]2[cH:57][cH:58][c:59]([O:62][CH3:63])[cH:60][cH:61]2)[n:53][n:54]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:46][CH:47]([CH3:48])[c:49]1[c:50](=[O:64])[nH:51][c:52]([CH2:55][c:56]2[cH:57][cH:58][c:59]([O:62][CH3:63])[cH:60][cH:61]2)[n:53][n:54]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 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 183340382-(1-Hydroxyethyl)-5-phenylpentanoic acidHCID 1356979216-(1-aminoethyl)-3-(4-methoxybenzyl)-1,2,4-triazin-5(4H)-one

Product 1

HCID 1358247202-(1-hydroxyethyl)-N-{1-[3-(4-methoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-5-phenylpentanamide

Sources & evidence

ORD record
ord-3c2610077e4d4f5e8d1d749c3c31b9af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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