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

HRID 212902Notes

Reaction equation

HRID 212902 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([F:16])[c:6]([NH:8][c:9]2[cH:10][c:11]([OH:15])[cH:12][cH:13][cH:14]2)[n:7]1.[O:17]1[CH:18]([CH2:27][NH2:28])[CH2:19][O:20][c:21]2[c:22]1[cH:23][cH:24][cH:25][cH:26]2>>[c:2]1([NH:28][CH2:27][CH:18]2[O:17][c:22]3[c:21]([cH:26][cH:25][cH:24][cH:23]3)[O:20][CH2:19]2)[n:3][cH:4][c:5]([F:16])[c:6]([NH:8][c:9]2[cH:10][c:11]([OH:15])[cH:12][cH:13][cH:14]2)[n:7]1

Participants

3

Reactant 2

HCID 150532-Aminomethyl-1,4-benzodioxaneHCID 220604512-chloro-5-fluoro-N-(3-hydroxyphenyl)-4-pyrimidineamine

Product 1

HCID 22060632N2-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-fluoro-N4-(3-hydroxyphenyl)-2,4-pyrimidinediamine

Sources & evidence

ORD record
ord-118a67852a1d4d72b764d91847e0ac7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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