Water → HCID 178445112, compound

HRID 286208Notes

Reaction equation

HRID 286208 reaction equation
[CH3:1][C:2]1([CH3:27])[O:3][C:4](=[O:26])[CH:5]([CH:7]([C:8]([O:10][c:9]2[c:11]([F:12])[c:13]([F:14])[c:15]([F:16])[c:17]([F:18])[c:19]2[F:20])=[O:21])[CH2:22][CH:23]([CH3:24])[CH3:25])[O:6]1.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH2:79].[OH:28][NH:29][C:30](=[O:31])[CH:32]([OH:33])[CH:34]([C:35]([N:36]1[CH2:37][CH2:38][N:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][n:45]2)[CH2:46][CH2:47]1)=[O:48])[CH2:49][CH:50]([CH3:51])[CH3:52].[OH:53][NH:54][C:55](=[O:56])[CH:57]([OH:58])[CH:59]([C:60](=[O:61])[N:64]1[CH:65]([CH3:76])[CH2:66][N:67]([c:70]2[n:71][cH:72][cH:73][cH:74][cH:75]2)[CH2:68][CH2:69]1)[CH2:62][CH:63]([CH3:77])[CH3:78]>>[CH3:1][C:2]1([CH3:27])[O:3][C:4](=[O:26])[CH:5]([CH:7]([C:8](=[O:10])[N:64]2[CH:65]([CH3:76])[CH2:66][N:67]([c:70]3[n:71][cH:72][cH:73][cH:74][cH:75]3)[CH2:68][CH2:69]2)[CH2:22][CH:23]([CH3:24])[CH3:25])[O:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 72807234(2,3,4,5,6-Pentafluorophenyl) 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-4-methylpentanoateHCID 72983429N,2-dihydroxy-5-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)hexanamideHCID 178445113HCID 178445113, compound

Product 1

HCID 178445112HCID 178445112, compound

Sources & evidence

ORD record
ord-b6a771b832724a9eb87c49fca0c9ef32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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