Acetic Acid → TAS-103 free base

Reaction equation

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

Participants

Reactant 3

HCID 176Acetic Acid

HCID 260Hydrogen Bromide

HCID 223716586-(((dimethylamino)ethyl)amino)-3-methoxy-7H-indeno[2,1-c]quinoline-7-on

Product 1

HCID 135413533TAS-103 free base

Sources & evidence

ORD record: ord-b020874df17142dfa7f09ece79c80a32
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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