5-Methyl-3-phenyl-4-isoxazolamine → N4-(3,4-ethylenedioxyphenyl)-5-fluoro-N2-(3-phenyl-5-methylisoxazol-4-yl)-2,4-pyrimidinediamine

HRID 308372Notes

Reaction equation

HRID 308372 reaction equation
[CH2:1]1[CH2:2][O:3][c:4]2[cH:5][cH:6][c:7]([NH:8][c:9]3[c:10]([F:11])[cH:12][n:13][c:14]([NH:15][c:16]4[cH:17][cH:18][cH:19][c:20]([OH:21])[cH:22]4)[n:23]3)[cH:24][c:25]2[O:26]1.[CH3:46][c:47]1[c:48]([NH2:58])[c:49](-[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[n:50][o:51]1.[Cl:27][c:28]1[n:29][cH:30][c:31]([F:45])[c:32]([NH:34][c:35]2[cH:36][c:37]3[c:38]([cH:39][cH:40]2)[O:41][CH2:42][CH2:43][O:44]3)[n:33]1>>[c:28]1([NH:58][c:48]2[c:47]([CH3:46])[o:51][n:50][c:49]2-[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[n:29][cH:30][c:31]([F:45])[c:32]([NH:34][c:35]2[cH:36][c:37]3[c:38]([cH:39][cH:40]2)[O:41][CH2:42][CH2:43][O:44]3)[n:33]1

Participants

4

Reactant 3

HCID 27475845-Methyl-3-phenyl-4-isoxazolamineHCID 22060334N4-(3,4-ethylenedioxyphenyl)-5-fluoro-N2-(3-hydroxyphenyl)-2,4-primidinediamineHCID 220603622-chloro-5-fluoro-N-(3,4-ethylenedioxyphenyl)-4-pyrimidineamine

Product 1

HCID 22060575N4-(3,4-ethylenedioxyphenyl)-5-fluoro-N2-(3-phenyl-5-methylisoxazol-4-yl)-2,4-pyrimidinediamine

Sources & evidence

ORD record
ord-034aa4e5ec9e43db931a693e37dcb9a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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