1,4-Benzodioxan-6-ylamine → N4-benzyloxy-5-ethoxycarbonyl-N2-(3,4-ethylenedioxyphenyl)-2,4-pyrimidinediamine

HRID 88840Notes

Reaction equation

HRID 88840 reaction equation
[CH2:1]1[O:2][c:3]2[cH:4][c:5]([NH:11][c:12]3[c:13]([F:14])[cH:15][n:16][c:17]([NH:18][c:19]4[cH:20][cH:21][cH:22][c:23]([OH:24])[cH:25]4)[n:26]3)[cH:6][cH:7][c:8]2[O:9][CH2:10]1.[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][NH:35][c:36]1[n:37][c:38]([Cl:47])[n:39][cH:40][c:41]1[C:42](=[O:43])[O:44][CH2:45][CH3:46].[O:48]1[c:49]2[cH:50][cH:51][c:52]([NH2:53])[cH:54][c:55]2[O:56][CH2:57][CH2:58]1>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([NH:11][c:38]3[n:37][c:36]([NH:35][O:34][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:41]([C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:40][n:39]3)[cH:6][cH:7][c:8]2[O:9][CH2:10]1

Participants

4

Reactant 3

HCID 891481,4-Benzodioxan-6-ylamineHCID 22060334N4-(3,4-ethylenedioxyphenyl)-5-fluoro-N2-(3-hydroxyphenyl)-2,4-primidinediamineHCID 22060800HCID 22060800, compound

Product 1

HCID 22060322N4-benzyloxy-5-ethoxycarbonyl-N2-(3,4-ethylenedioxyphenyl)-2,4-pyrimidinediamine

Sources & evidence

ORD record
ord-ffb107beab864512affbf181ccf031d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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