2-Aminomethyl-1,4-benzodioxane → N2-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N4-(3,4-ethylenedioxyphenyl)-5-fluoro-2,4-pyrimidinediamine

HRID 2343692Notes

Reaction equation

HRID 2343692 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[O:15][CH2:16][CH2:17][O:18]3)[n:7]1.[O:20]1[CH:21]([CH2:30][NH2:31])[CH2:22][O:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2>>[c:2]1([NH:31][CH2:30][CH:21]2[O:20][c:25]3[c:24]([cH:29][cH:28][cH:27][cH:26]3)[O:23][CH2:22]2)[n:3][cH:4][c:5]([F:19])[c:6]([NH:8][c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[O:15][CH2:16][CH2:17][O:18]3)[n:7]1

Participants

3

Reactant 2

HCID 150532-Aminomethyl-1,4-benzodioxaneHCID 220603622-chloro-5-fluoro-N-(3,4-ethylenedioxyphenyl)-4-pyrimidineamine

Product 1

HCID 22060223N2-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N4-(3,4-ethylenedioxyphenyl)-5-fluoro-2,4-pyrimidinediamine

Sources & evidence

ORD record
ord-eaa82b69cf584521b6e84fe9a6c186d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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