Ethanol → Imatinib (Pyridine)-N-oxide

HRID 2144674Notes

Reaction equation

HRID 2144674 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][OH:48].[Cl:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[NH:16][c:17]2[cH:18][c:19]([NH:24][c:25]3[n:26][cH:27][cH:28][c:29](-[c:31]4[cH:32][n+:33]([O-:37])[cH:34][cH:35][cH:36]4)[n:30]3)[c:20]([CH3:23])[cH:21][cH:22]2)[cH:38][cH:39]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:9][c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[NH:16][c:17]3[cH:18][c:19]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29](-[c:31]5[cH:32][n+:33]([O-:37])[cH:34][cH:35][cH:36]5)[n:30]4)[c:20]([CH3:23])[cH:21][cH:22]3)[cH:38][cH:39]2)[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8857Ethyl AcetateHCID 531671-MethylpiperazineHCID 68489405HCID 68489405, compound

Product 1

HCID 9827642Imatinib (Pyridine)-N-oxide

Sources & evidence

ORD record
ord-a4764d63638848df81d37580e8484f1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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