Acetic Acid → Acetic Acid

HRID 125031Notes

Reaction equation

[BrH:48].[C:1]([CH3:2])(=[O:3])[OH:4].[C:5]([CH3:6])(=[O:7])[OH:8].[CH3:49][C:50](=[O:51])[OH:52].[CH3:9][O:10][c:11]1[n:12][cH:13][cH:14][cH:15][c:16]1[CH2:17][NH:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[n:26][n:27]([CH:35]3[CH2:36][CH2:37][CH:38]([N:41]4[CH2:42][CH2:43][N:44]([CH3:47])[CH2:45][CH2:46]4)[CH2:39][CH2:40]3)[c:28]3[n:29][cH:30][n:31][c:32]([NH2:34])[c:33]23)[cH:23][cH:24]1>>[C:1]([CH3:2])(=[O:3])[OH:4].[C:5]([CH3:6])(=[O:7])[OH:8].[O:10]=[c:11]1[nH:12][cH:13][cH:14][cH:15][c:16]1[CH2:17][NH:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[n:26][n:27]([CH:35]3[CH2:36][CH2:37][CH:38]([N:41]4[CH2:42][CH2:43][N:44]([CH3:47])[CH2:45][CH2:46]4)[CH2:39][CH2:40]3)[c:28]3[n:29][cH:30][n:31][c:32]([NH2:34])[c:33]23)[cH:23][cH:24]1

Participants

Reactant 3

HCID 176Acetic Acid3×

HCID 260Hydrogen Bromide

HCID 208171953-[4-[(2-Methoxy-3-pyridinyl)methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine

Product 2

HCID 176Acetic Acid2×

HCID 20817201HCID 20817201, compound

Sources & evidence

ORD record: ord-5362d2dfdbe5491a8a4997c879e0535f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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