Dimethylformamide → (RS)-4-{1-[5-(4-Fluorophenyl)-2-methylthiazol-4-yl]-methanoyl}-3-[2-(4-fluoro-phenyl)-2-oxo-ethoxycarbonylmethyl]-piperazine-1-carboxylic acid tert-butyl ester

HRID 1552464Notes

Reaction equation

HRID 1552464 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:14][C:15](=[O:16])[O:17][CH2:18][C:19](=[O:20])[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[NH:11][CH2:12][CH2:13]1.[CH:52]([N:53]([CH:54]([CH3:55])[CH3:56])[CH2:57][CH3:58])([CH3:59])[CH3:60].[F:61][c:62]1[cH:63][cH:64][c:65](-[c:68]2[c:69]([C:74](=[O:75])[OH:76])[n:70][c:71]([CH3:73])[s:72]2)[cH:66][cH:67]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:14][C:15](=[O:16])[O:17][CH2:18][C:19](=[O:20])[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[N:11]([C:74]([c:69]2[c:68](-[c:65]3[cH:64][cH:63][c:62]([F:61])[cH:67][cH:66]3)[s:72][c:71]([CH3:73])[n:70]2)=[O:75])[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 223241255-(4-Fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acidHCID 67158269(RS)-3-[2-(4-Fluorophenyl)-2-oxo-ethoxycarbonylmethyl]piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 67158091(RS)-4-{1-[5-(4-Fluorophenyl)-2-methylthiazol-4-yl]-methanoyl}-3-[2-(4-fluoro-phenyl)-2-oxo-ethoxycarbonylmethyl]-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-8f7bc6df42fb49adab4e6df2188c3eb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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