Hydrochloric Acid → tert-butyl 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]acetyl}hydrazinecarboxylate

HRID 104208Notes

Reaction equation

HRID 104208 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.[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[ClH:49].[NH:40]([NH2:41])[C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48].[OH2:71].[OH:61][n:62]1[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]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:41][NH:40][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[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 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 70091tert-Butyl carbazateHCID 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 67010059tert-butyl 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]acetyl}hydrazinecarboxylate

Sources & evidence

ORD record
ord-388aa57554774d2795055381243eb67b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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