Acetic Acid → HCID 178456253, compound

HRID 303843Notes

Reaction equation

HRID 303843 reaction equation
[BrH:31].[CH3:1][c:2]1[c:3]2[c:17]3[c:11]([cH:12][cH:13][cH:14][c:15]3[nH:16]1)[CH:10]1[CH:5]([CH2:4]2)[N:6]([CH2:21][CH2:22][CH3:23])[CH2:7][CH:8]([CH2:18][C:19]#[N:20])[CH2:9]1.[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[CH3:32][C:33](=[O:34])[OH:35].[NH3:24]>>[CH3:1][c:2]1[c:3]2[c:17]3[c:11]([cH:12][cH:13][cH:14][c:15]3[nH:16]1)[CH:10]1[CH:5]([CH2:4]2)[N:6]([CH2:21][CH2:22][CH3:23])[CH2:7][CH:8]([CH2:18][C:19]([NH2:20])=[O:27])[CH2:9]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 222AmmoniaHCID 260Hydrogen BromideHCID 8857Ethyl AcetateHCID 178456242HCID 178456242, compound

Product 1

HCID 178456253HCID 178456253, compound

Sources & evidence

ORD record
ord-2dad776b26f34c76b79f787d354e6afc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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