Hydroxide → N2-(2-carboxyindol-5-yl)-5-fluoro-N4-(3-hydroxyphenyl)-2,4-pyrimidinediamine

HRID 178511Notes

Reaction equation

HRID 178511 reaction equation
[C:1]([c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[c:8]([F:9])[cH:10][n:11][c:12]([NH:13][c:14]3[cH:15][cH:16][c:17]4[c:24]([cH:25]3)[CH2:23][CH:19]([C:20]([OH:21])=[O:22])[O:18]4)[n:26]2)[cH:27][cH:28]1)([CH3:29])([CH3:30])[CH3:31].[CH2:32]([CH3:33])[O:34][C:35](=[O:36])[c:37]1[nH:38][c:39]2[cH:40][cH:41][c:42]([NH:46][c:47]3[n:48][cH:49][c:50]([F:61])[c:51]([NH:53][c:54]4[cH:55][c:56]([OH:60])[cH:57][cH:58][cH:59]4)[n:52]3)[cH:43][c:44]2[cH:45]1.[Li+:63].[OH-:62]>>[O:34]=[C:35]([OH:36])[c:37]1[nH:38][c:39]2[cH:40][cH:41][c:42]([NH:46][c:47]3[n:48][cH:49][c:50]([F:61])[c:51]([NH:53][c:54]4[cH:55][c:56]([OH:60])[cH:57][cH:58][cH:59]4)[n:52]3)[cH:43][c:44]2[cH:45]1

Participants

5

Reactant 4

HCID 961HydroxideHCID 28486Lithium ionHCID 22060366N4-(4-tert-butylphenyl)-5-fluoro-N2-(2,3-dihydro-2-carboxybenzofuran-5-yl)-2,4-pyrimidinediamineHCID 22060970N2-(2-ethoxycarbonylindol-5-yl)-5-fluoro-N4-(3-hydroxyphenyl)-2,4-pyrimidinediamine

Product 1

HCID 22060545N2-(2-carboxyindol-5-yl)-5-fluoro-N4-(3-hydroxyphenyl)-2,4-pyrimidinediamine

Sources & evidence

ORD record
ord-a160d6a7c1e6461dbec5c3dda1895383
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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