Dimethylformamide → Tert-butyl 3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]pyrrolidine-1-carboxylate

HRID 117234Notes

Reaction equation

HRID 117234 reaction equation
[CH3:48][N+:49]([CH3:50])=[C:51]([N:52]([CH3:53])[CH3:54])[O:55][n:56]1[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1.[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[F:26][c:27]1[cH:28][c:29]([CH2:37][C:38](=[O:39])[OH:40])[cH:30][cH:31][c:32]1[C:33]([F:34])([F:35])[F:36].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:14]3[CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[c:7](=[O:13])[c:8]2[cH:9][cH:10][c:11]1[CH3:12].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:14]3[CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[c:7](=[O:13])[c:8]2[cH:9][cH:10][c:11]1[CH3:12])[C:38]([CH2:37][c:29]1[cH:28][c:27]([F:26])[c:32]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:30]1)=[O:39]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27375913-Fluoro-4-(trifluoromethyl)phenylacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 66649433Tert-butyl 3-(5-amino-6-methyl-1-oxoisoquinolin-2-yl)pyrrolidine-1-carboxylate

Product 1

HCID 66649398Tert-butyl 3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-21481bfe4f404d1e89952bce9883c3ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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