Acetic Acid → HCID 178453474, compound

HRID 2137556Notes

Reaction equation

HRID 2137556 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O-:14])[C:15](=[O:16])[O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[C:52]([O:53][CH3:54])([CH3:55])([CH3:56])[CH3:57].[CH2:25]([O:26][C:27]([Cl:28])=[O:29])[CH:30]([CH3:31])[CH3:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:48][C:49](=[O:50])[OH:51].[N+:40](=[N-:41])=[CH2:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:14])[CH:42]=[N+:40]=[N-:41])[C:15](=[O:16])[O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 9550DiazomethaneHCID 15413tert-Butyl methyl etherHCID 62365Isobutyl chloroformateHCID 23087902HCID 23087902, compound

Product 1

HCID 178453474HCID 178453474, compound

Sources & evidence

ORD record
ord-1edbbdd4118448a283386cc3ec34c617
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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