Trifluoroacetic acid → 1-(4-Chloro-5-(1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluorophenyl)-3-(3-((4-methylpiperazin-1-yl)methyl)phenyl)urea

HRID 2137139Notes

Reaction equation

HRID 2137139 reaction equation
[CH3:51][O:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl:1][c:2]1[cH:3][c:4]([F:50])[c:5]([NH:32][C:33](=[O:34])[NH:35][c:36]2[cH:37][c:38]([CH2:42][N:43]3[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]3)[cH:39][cH:40][cH:41]2)[cH:6][c:7]1-[c:8]1[c:9](=[O:31])[n:10]([CH2:29][CH3:30])[c:11]2[cH:12][c:13]([N:18]([CH3:19])[CH2:20][c:21]3[cH:22][cH:23][c:24]([O:25][CH3:26])[cH:27][cH:28]3)[n:14][cH:15][c:16]2[cH:17]1.[F:59][C:60]([F:61])([F:62])[C:63]([OH:64])=[O:65]>>[Cl:1][c:2]1[cH:3][c:4]([F:50])[c:5]([NH:32][C:33](=[O:34])[NH:35][c:36]2[cH:37][c:38]([CH2:42][N:43]3[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]3)[cH:39][cH:40][cH:41]2)[cH:6][c:7]1-[c:8]1[c:9](=[O:31])[n:10]([CH2:29][CH3:30])[c:11]2[cH:12][c:13]([NH:18][CH3:19])[n:14][cH:15][c:16]2[cH:17]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 86713676HCID 86713676, compound

Product 1

HCID 715847301-(4-Chloro-5-(1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluorophenyl)-3-(3-((4-methylpiperazin-1-yl)methyl)phenyl)urea

Sources & evidence

ORD record
ord-57723414961442c281108f5d295ec16c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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