Acetic Acid → Acetic Acid

HRID 1226919Notes

Reaction equation

HRID 1226919 reaction equation
[Br:5][c:6]1[cH:7][c:8]([C:12]2([CH:22]3[CH2:23][CH2:24]3)[N:13]=[C:14]([NH2:21])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]32)[cH:9][cH:10][cH:11]1.[C:1]([CH3:2])(=[O:3])[OH:4].[n:25]1[cH:26][n:27][cH:28][c:29]([B:31]([OH:32])[OH:33])[cH:30]1>>[C:1]([CH3:2])(=[O:3])[OH:4].[c:6]1(-[c:29]2[cH:28][n:27][cH:26][n:25][cH:30]2)[cH:7][c:8]([C:12]2([CH:22]3[CH2:23][CH2:24]3)[N:13]=[C:14]([NH2:21])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]32)[cH:9][cH:10][cH:11]1

Participants

5

Reactant 3

HCID 176Acetic AcidHCID 2795193(Pyrimidin-5-yl)boronic acidHCID 59596251HCID 59596251, compound

Product 2

HCID 176Acetic AcidHCID 24874649HCID 24874649, compound

Sources & evidence

ORD record
ord-b0772537ccf64b13abc32dedf6c3dd21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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