Ethyl Acetate → 1-[2-[3-[[1-(4-Ethoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]-1-phenylpyrazol-5-yl]oxyacetyl]pyrrolidine-2-carboxylic acid

HRID 106957Notes

Reaction equation

HRID 106957 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:29]([O:31][CH2:32][C:33](=[O:34])[N:35]3[CH:36]([C:40](=[O:41])[O:42][CH2:43][c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[CH2:37][CH2:38][CH2:39]3)[cH:30]2)=[O:56])[CH2:10][CH2:11]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[H:57][H:58]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:29]([O:31][CH2:32][C:33](=[O:34])[N:35]3[CH:36]([C:40](=[O:41])[OH:42])[CH2:37][CH2:38][CH2:39]3)[cH:30]2)=[O:56])[CH2:10][CH2:11]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 66854974Ethyl 4-[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[5-[2-oxo-2-(2-phenylmethoxycarbonylpyrrolidin-1-yl)ethoxy]-1-phenylpyrazole-3-carbonyl]amino]pentanoyl]piperazine-1-carboxylateHCID 178418361HCID 178418361, compound

Product 1

HCID 668558661-[2-[3-[[1-(4-Ethoxycarbonylpiperazin-1-yl)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoyl]-1-phenylpyrazol-5-yl]oxyacetyl]pyrrolidine-2-carboxylic acid

Sources & evidence

ORD record
ord-273714672bfb4b9187b89502280c55d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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