Dimethylformamide → {2-[3-(2-Ethyl-4-{5-[2-(isopropyl-methyl-amino)-6-methyl-pyridin-4-yl]-[1,2,4]oxadiazol-3-yl}-6-methyl-phenyl)-propionylamino]-ethyl}-carbamic acid tert-butyl ester

HRID 674784Notes

Reaction equation

HRID 674784 reaction equation
[C:74](=[O:75])([O:76][C:77]([CH3:78])([CH3:79])[CH3:80])[NH:81][CH2:82][CH2:83][NH2:84].[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[c:5]([CH3:26])[cH:6][c:7](-[c:9]2[n:10][o:11][c:12](-[c:14]3[cH:15][c:16]([N:21]([CH3:22])[CH:23]([CH3:24])[CH3:25])[n:17][c:18]([CH3:20])[cH:19]3)[n:13]2)[cH:8]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][P+:50]([N:51]2[CH2:52][CH2:53][CH2:54][CH2:55]2)([N:56]2[CH2:57][CH2:58][CH2:59][CH2:60]2)[N:61]2[CH2:62][CH2:63][CH2:64][CH2:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:27][CH2:28][C:29](=[O:30])[NH:84][CH2:83][CH2:82][NH:81][C:74](=[O:75])[O:76][C:77]([CH3:78])([CH3:79])[CH3:80])[c:5]([CH3:26])[cH:6][c:7](-[c:9]2[n:10][o:11][c:12](-[c:14]3[cH:15][c:16]([N:21]([CH3:22])[CH:23]([CH3:24])[CH3:25])[n:17][c:18]([CH3:20])[cH:19]3)[n:13]2)[cH:8]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 187201N-BOC-ethylenediamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 685780763-(2-Ethyl-4-{5-[2-(isopropyl-methyl-amino)-6-methyl-pyridin-4-yl]-[1,2,4]oxadiazol-3-yl}-6-methyl-phenyl)-propionic acid

Product 1

HCID 68578269{2-[3-(2-Ethyl-4-{5-[2-(isopropyl-methyl-amino)-6-methyl-pyridin-4-yl]-[1,2,4]oxadiazol-3-yl}-6-methyl-phenyl)-propionylamino]-ethyl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-b88e999c5597456199b6d11f4a8f5f5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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