Methane → Ethyl 4-[2-(3,5-bis-trifluoromethyl-benzylamino)-pyrimidin-5-yloxy]-butyrate

HRID 670212Notes

Reaction equation

HRID 670212 reaction equation
[C:47].[CH2:1]([O:2][C:3](=[O:4])[N:11]([c:12]1[n:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:16][n:17]1)[CH2:27][c:28]1[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[Pd:48]>>[NH:11]([c:12]1[n:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:16][n:17]1)[CH2:27][c:28]1[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1

Participants

5

Reactant 4

HCID 297MethaneHCID 8028TetrahydrofuranHCID 23938PalladiumHCID 86626520Ethyl 4-{2-[benzyloxycarbonyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-pyrimidin-5-yloxy}-butyrate

Product 1

HCID 57556066Ethyl 4-[2-(3,5-bis-trifluoromethyl-benzylamino)-pyrimidin-5-yloxy]-butyrate

Sources & evidence

ORD record
ord-c752ad076b284c4da67741bf1247a617
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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