Dimethylformamide → Benzyl 4-[2-[[5-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate

HRID 667706Notes

Reaction equation

HRID 667706 reaction equation
[CH2:68]([c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[O:75][C:76](=[O:77])[N:78]1[CH2:79][CH2:80][NH:81][CH2:82][CH2:83]1.[CH3:89][CH2:90][O:91][C:92](=[O:93])[CH3:94].[CH:1]1([NH:5][C:6](=[O:7])[CH:8]2[N:9]([C:13]([CH2:14][O:15][c:16]3[cH:17][c:18]([C:27](=[O:28])[NH:29][CH2:30][C:31](=[O:32])[OH:33])[n:19][n:20]3-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:34])[CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[CH:1]1([NH:5][C:6](=[O:7])[CH:8]2[N:9]([C:13]([CH2:14][O:15][c:16]3[cH:17][c:18]([C:27](=[O:28])[NH:29][CH2:30][C:31](=[O:32])[N:81]4[CH2:80][CH2:79][N:78]([C:76]([O:75][CH2:68][c:69]5[cH:70][cH:71][cH:72][cH:73][cH:74]5)=[O:77])[CH2:83][CH2:82]4)[n:19][n:20]3-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:34])[CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 643495Benzyl piperazine-1-carboxylateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668551622-[[5-[2-[2-(Cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]acetic acid

Product 1

HCID 66854885Benzyl 4-[2-[[5-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-c054843a45184aa7901d4805ce33d590
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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