Hexane → HCID 178525993, compound

HRID 2139458Notes

Reaction equation

HRID 2139458 reaction equation
[CH2:1]([n:2]1[cH:3][c:4]([C:5](=[O:6])[CH:7]=[C:8]([OH:9])[C:10]([O:11][CH3:12])=[O:13])[c:14](=[O:15])[n:16]([CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]1=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:65][CH2:66][CH2:67][CH2:68][CH2:69][CH3:70].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[F:32][c:33]1[c:34]([CH2:35][n:36]2[c:37](=[O:60])[n:38]([CH2:52][c:53]3[c:54]([F:59])[cH:55][cH:56][cH:57][cH:58]3)[c:39](=[O:51])[c:40]([C:42]([CH:43]=[C:44]([C:45](=[O:46])[O:47][CH3:48])[OH:49])=[O:50])[cH:41]2)[cH:61][cH:62][cH:63][cH:64]1>>[F:32][c:33]1[c:34]([CH2:35][n:36]2[c:37](=[O:60])[n:38]([CH2:52][c:53]3[c:54]([F:59])[cH:55][cH:56][cH:57][cH:58]3)[c:39](=[O:51])[c:40]([C:42]([CH:43]=[C:44]([C:45](=[O:46])[OH:47])[OH:49])=[O:50])[cH:41]2)[cH:61][cH:62][cH:63][cH:64]1

Participants

5

Reactant 4

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 178501825HCID 178501825, compoundHCID 178501828HCID 178501828, compound

Product 1

HCID 178525993HCID 178525993, compound

Sources & evidence

ORD record
ord-72e2551209a94596b278872c8799e7a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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