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

HRID 1239428Notes

Reaction equation

HRID 1239428 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[NH:25][C:26](=[O:27])[c:28]2[n:29][n:30](-[c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[c:31]([O:33][CH2:34][C:35](=[O:36])[N:37]3[CH:38]([C:42](=[O:43])[O:44][CH2:45][c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[CH2:39][CH2:40][CH2:41]3)[cH:32]2)=[O:58])[CH2:12][CH2:13]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[H:59][H:60]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[NH:25][C:26](=[O:27])[c:28]2[n:29][n:30](-[c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[c:31]([O:33][CH2:34][C:35](=[O:36])[N:37]3[CH:38]([C:42](=[O:43])[OH:44])[CH2:39][CH2:40][CH2:41]3)[cH:32]2)=[O:58])[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 66855297HCID 66855297, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 668550671-[2-[3-[[1-(4-Butoxycarbonylpiperazin-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-221b64188aca43af8c906ca600aca192
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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