Hydrochloric Acid → N'-acetyl-2-[(trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]acetohydrazide

HRID 2339554Notes

Reaction equation

HRID 2339554 reaction equation
[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][c:16]3[c:17](=[O:39])[n:18]([CH:28]4[CH2:29][CH2:30][CH:31]([O:34][CH2:35][C:36](=[O:37])[OH:38])[CH2:32][CH2:33]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][cH:26][n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH2:46]([N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55])[CH3:56].[CH3:40][C:41](=[O:42])[NH:43][NH2:44].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[ClH:45].[OH2:67].[OH:57][n:58]1[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][c:16]3[c:17](=[O:39])[n:18]([CH:28]4[CH2:29][CH2:30][CH:31]([O:34][CH2:35][C:36](=[O:37])[NH:44][NH:43][C:41]([CH3:40])=[O:42])[CH2:32][CH2:33]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][cH:26][n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 8857Ethyl AcetateHCID 14039AcetohydrazideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 67010215[(trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]acetic acid

Product 1

HCID 67009360N'-acetyl-2-[(trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]acetohydrazide

Sources & evidence

ORD record
ord-f66ae22139414d00af840af7330ca928
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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