Acetic Acid → HCID 69331504, compound

HRID 205669Notes

Reaction equation

HRID 205669 reaction equation
[BrH:33].[C:34]([OH:35])(=[O:36])[CH3:37].[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[c:9]([Br:14])[cH:10][cH:11][cH:12][cH:13]2)[n:7]1.[O:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1>>[NH2:1][c:2]1[c:3]([C:25]([NH2:26])=[O:27])[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[c:9]([Br:14])[cH:10][cH:11][cH:12][cH:13]2)[n:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 312751,4-DioxaneHCID 69331987HCID 69331987, compound

Product 1

HCID 69331504HCID 69331504, compound

Sources & evidence

ORD record
ord-0eb14d23062c49c297730e53c0cb12d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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