Dimethylformamide → butyl N-[1-[2-[[5-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]acetyl]piperidin-4-yl]carbamate

HRID 1128001Notes

Reaction equation

HRID 1128001 reaction equation
[CH2:64]([CH2:65][CH2:66][CH3:67])[O:68][C:69]([NH:70][CH:71]1[CH2:72][CH2:73][N:74]([C:77]([CH2:78][NH2:79])=[O:80])[CH2:75][CH2:76]1)=[O:81].[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])[OH:29])[n:19][n:20]3-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:30])[CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]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:79][CH2:78][C:77]([N:74]4[CH2:73][CH2:72][CH:71]([NH:70][C:69]([O:68][CH2:64][CH2:65][CH2:66][CH3:67])=[O:81])[CH2:76][CH2:75]4)=[O:80])[n:19][n:20]3-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:30])[CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668546965-[2-[2-(Cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylic acidHCID 66855388[1-(2-Amino-acetyl)-piperidin-4-yl]carbamic acid butyl ester

Product 1

HCID 66856252butyl N-[1-[2-[[5-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]acetyl]piperidin-4-yl]carbamate

Sources & evidence

ORD record
ord-19b9196a6b854aca8b67f7037486167e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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