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

HRID 702203Notes

Reaction equation

HRID 702203 reaction equation
[C:27](=[O:28])([OH:29])[CH:30]1[CH2:31][CH2:32][CH:33]([NH:36][c:37]2[n:38][c:39]([Cl:44])[n:40][cH:41][c:42]2[F:43])[CH2:34][CH2:35]1.[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.[CH2:45]1[CH2:46][O:47][c:48]2[cH:49][cH:50][c:51]([NH2:52])[cH:53][c:54]2[O:55]1>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([NH:11][c:39]3[n:38][c:37]([NH:36][CH:33]4[CH2:32][CH2:31][CH:30]([C:27](=[O:28])[OH:29])[CH2:35][CH2:34]4)[c:42]([F:43])[cH:41][n:40]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 22061179N4-(4-carboxycyclohexyl)-2-chloro-5-fluoro-4-pyrimidineamine

Product 1

HCID 15603404N4-(4-carboxycyclohexyl)-N2-(3,4-ethylenedioxyphenyl)-5-fluoro-2,4-pyrimidinediamine

Sources & evidence

ORD record
ord-917ce38b63c74377b022a05a3542ff2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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