Dimethylformamide → HCID 72338317, compound

HRID 2161221Notes

Reaction equation

HRID 2161221 reaction equation
[CH3:1][O:2][C:3]([NH:4][CH:5]([CH2:6][CH2:7][C:8]([F:9])([F:10])[F:11])[C:12](=[O:13])[N:14]1[CH:15]([c:19]2[nH:20][c:21](-[c:24]3[cH:25][cH:26][c:27](-[c:30]4[cH:31][cH:32][c:33](-[c:36]5[nH:37][c:38]([CH:41]6[NH:42][CH2:43][CH2:44][CH2:45]6)[n:39][cH:40]5)[cH:34][cH:35]4)[cH:28][cH:29]3)[cH:22][n:23]2)[CH2:16][CH2:17][CH2:18]1)=[O:46].[CH3:95][N:96]([CH3:97])[CH:98]=[O:99].[CH:86]([N:87]([CH:88]([CH3:89])[CH3:90])[CH2:91][CH3:92])([CH3:93])[CH3:94].[F:47][C:48]([CH2:49][CH2:50][CH:51]([C:52](=[O:53])[OH:54])[NH:55][C:56](=[O:57])[O:58][CH3:59])([F:60])[F:61].[P-:62]([F:63])([F:64])([F:65])([F:66])([F:67])[F:68].[n:69]1([O:70][C:71]([N:72]([CH3:73])[CH3:74])=[N+:75]([CH3:76])[CH3:77])[c:78]2[n:79][cH:80][cH:81][cH:82][c:83]2[n:84][n:85]1>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH2:6][CH2:7][C:8]([F:9])([F:10])[F:11])[C:12](=[O:13])[N:14]1[CH:15]([c:19]2[nH:20][c:21](-[c:24]3[cH:25][cH:26][c:27](-[c:30]4[cH:31][cH:32][c:33](-[c:36]5[nH:37][c:38]([CH:41]6[N:42]([C:52]([CH:51]([CH2:50][CH2:49][C:48]([F:47])([F:60])[F:61])[NH:55][C:56](=[O:57])[O:58][CH3:59])=[O:53])[CH2:43][CH2:44][CH2:45]6)[n:39][cH:40]5)[cH:34][cH:35]4)[cH:28][cH:29]3)[cH:22][n:23]2)[CH2:16][CH2:17][CH2:18]1)=[O:46]

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 66621118[4,4,4-Trifluoro-1-(2-{5-[4'-(2-pyrrolidin-2-yl-3H-imidazol-4-yl)-biphenyl-4-yl]-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl)-butyl]-carbamic acid methyl esterHCID 723382845,5,5-Trifluoro-2-methoxycarbonylamino-pentanoic acid

Product 1

HCID 72338317HCID 72338317, compound

Sources & evidence

ORD record
ord-58400015416542d5a2ac004fc5004f7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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