Dimethylformamide → [4-(2-tert-Butoxycarbonylaminoethylamino)-5-(4-fluorophenylcarbamoyl)pyrimidin-2-ylsulfanyl]acetic acid ethyl ester

HRID 834111Notes

Reaction equation

HRID 834111 reaction equation
[C:1]([CH2:2][SH:3])(=[O:4])[O:5][CH2:6][CH3:7].[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([NH:14][CH2:15][CH2:16][NH:17][c:18]1[n:19][c:20]([S:34]([CH3:35])(=[O:36])=[O:37])[n:21][cH:22][c:23]1[C:24]([NH:25][c:26]1[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]1)=[O:33])=[O:38].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[C:1]([CH2:2][S:3][c:20]1[n:19][c:18]([NH:17][CH2:16][CH2:15][NH:14][C:13]([O:12][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:38])[c:23]([C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)=[O:33])[cH:22][n:21]1)(=[O:4])[O:5][CH2:6][CH3:7]

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 12185Ethyl ThioglycolateHCID 81531DiisopropylethylamineHCID 69523394{2-[5-(4-Fluorophenylcarbamoyl)-2-methylsulfonyl-pyrimidin-4-ylamino]-ethyl}carbamic acid tert-butyl ester

Product 1

HCID 69522205[4-(2-tert-Butoxycarbonylaminoethylamino)-5-(4-fluorophenylcarbamoyl)pyrimidin-2-ylsulfanyl]acetic acid ethyl ester

Sources & evidence

ORD record
ord-4d25e897ca4d4bc2ba3724f24d34da8f
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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