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Bicarbonate Ion → Ethyl 4-[2-[[5-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-3-fluoropropanoyl]piperazine-1-carboxylate

HRID 933179
Notes
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Reaction equation

HRID 933179 reaction equation
[CH2:64]([CH3:65])[O:66][C:67](=[O:68])[N:69]1[CH2:70][CH2:71][N:72]([C:75]([CH:76]([CH2:77][F:78])[NH2:79])=[O:80])[CH2:73][CH2:74]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])[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].[Na+:85].[O-:81][C:82]([OH:83])=[O:84].[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[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][CH:76]([C:75]([N:72]4[CH2:71][CH2:70][N:69]([C:67]([O:66][CH2:64][CH3:65])=[O:68])[CH2:74][CH2:73]4)=[O:80])[CH2:77][F:78])[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
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 66854696
5-[2-[2-(Cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylic acid
HCID 66855319Ethyl 4-(2-amino-3-fluoropropanoyl)piperazine-1-carboxylate

Product 1

HCID 66855402Ethyl 4-[2-[[5-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-3-fluoropropanoyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-0e0724206e4a4ef0bf7db0d8981b2a67
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes