Acetic Acid → HCID 69333276, compound

HRID 1546003Notes

Reaction equation

HRID 1546003 reaction equation
[BrH:37].[C:27]([OH:28])(=[O:29])[CH3:30].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[NH2:1][c:2]1[c:3]([C:25]#[N:26])[n:4][c:5](-[c:15]2[n:16][n:17]([CH:22]([CH3:23])[CH3:24])[c:18](=[O:21])[cH:19][cH:20]2)[c:6](-[c:8]2[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]2)[n:7]1.[Na+:36].[O-:32][C:33]([OH:34])=[O:35].[OH2:31]>>[NH2:1][c:2]1[c:3]([C:25]([NH2:26])=[O:29])[n:4][c:5](-[c:15]2[n:16][n:17]([CH:22]([CH3:23])[CH3:24])[c:18](=[O:21])[cH:19][cH:20]2)[c:6](-[c:8]2[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]2)[n:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 69332723HCID 69332723, compound

Product 1

HCID 69333276HCID 69333276, compound

Sources & evidence

ORD record
ord-9346476a8cd24964b74d48c6a87902cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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