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

HRID 1219864Notes

Reaction equation

HRID 1219864 reaction equation
[CH2:74]([CH3:75])[O:76][C:77](=[O:78])[N:79]1[CH2:80][CH2:81][NH:82][CH2:83][CH2:84]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][CH:30]([C:31](=[O:32])[OH:33])[CH:34]4[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]4)[n:19][n:20]3-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:40])[CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4]1.[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[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][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]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][CH:30]([C:31](=[O:32])[N:82]4[CH2:81][CH2:80][N:79]([C:77]([O:76][CH2:74][CH3:75])=[O:78])[CH2:84][CH2:83]4)[CH:34]4[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]4)[n:19][n:20]3-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:40])[CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 84311-Piperazinecarboxylic acid, ethyl esterHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178523561HCID 178523561, compound

Product 1

HCID 66856207Ethyl 4-[2-[[5-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-2-cyclohexylacetyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-7bcbd4719d8b4f92a60173f8ea4462f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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