Hydrochloric Acid → Ethyl 4-[[4-[1-(1-Acetoxyethyl)oxycarbonylpiperidin-4-yl]-2-oxopiperazin-1-yl]acetyl]phenoxyacetate

HRID 97266Notes

Reaction equation

HRID 97266 reaction equation
[C:32]([O:33][CH:34]([CH3:35])[O:36][C:37]([CH3:38])=[O:39])([O:40][c:42]1[cH:43][cH:44][c:45]([N+:46]([O-:47])=[O:48])[cH:49][cH:50]1)=[O:41].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[ClH:1].[ClH:2].[O:3]=[C:4]1[N:5]([CH2:16][C:17](=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:23][CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31]2)[CH2:6][CH2:7][N:8]([CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[CH2:9]1.[OH2:51]>>[O:3]=[C:4]1[N:5]([CH2:16][C:17](=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:23][CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31]2)[CH2:6][CH2:7][N:8]([CH:10]2[CH2:11][CH2:12][N:13]([C:32]([O:33][CH:34]([CH3:35])[O:36][C:37]([CH3:38])=[O:39])=[O:40])[CH2:14][CH2:15]2)[CH2:9]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 117805601-acetoxyethyl p-nitrophenyl carbonateHCID 12011190Ethyl 2-[4-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate

Product 1

HCID 18408908Ethyl 4-[[4-[1-(1-Acetoxyethyl)oxycarbonylpiperidin-4-yl]-2-oxopiperazin-1-yl]acetyl]phenoxyacetate

Sources & evidence

ORD record
ord-5cc7d301f9f0453bb3dfe9926732655d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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