Acetic Acid → Hydrogen Bromide

HRID 158991Notes

Reaction equation

HRID 158991 reaction equation
[BrH:28].[CH3:29][C:30](=[O:31])[OH:32].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16]1>>[BrH:28].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[nH:8][cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16]1

Participants

5

Reactant 3

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 99506787-tert-Butyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine

Product 2

HCID 260Hydrogen BromideHCID 120422345-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine

Sources & evidence

ORD record
ord-9730c691522a406e9457470404741b45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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