Dimethylamine → 5-(3-(1-(Dimethylamino)-2-methyl-1-oxopropan-2-ylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

HRID 177125Notes

Reaction equation

HRID 177125 reaction equation
[CH2:4]1[O:5][CH2:6][CH2:7][CH2:8]1.[CH3:1][NH:2][CH3:3].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[F:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[o:17][c:18]3[c:19]([c:20]2[C:21]([NH:22][CH3:23])=[O:24])[cH:25][c:26](-[c:29]2[cH:30][c:31]([C:32](=[O:33])[NH:34][C:35]([C:36](=[O:37])[OH:38])([CH3:39])[CH3:40])[cH:41][cH:42][cH:43]2)[cH:27][cH:28]3)[cH:14][cH:15]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[CH3:1][N:2]([CH3:3])[C:36]([C:35]([NH:34][C:32]([c:31]1[cH:30][c:29](-[c:26]2[cH:25][c:19]3[c:18]([o:17][c:16](-[c:13]4[cH:12][cH:11][c:10]([F:9])[cH:15][cH:14]4)[c:20]3[C:21]([NH:22][CH3:23])=[O:24])[cH:28][cH:27]2)[cH:43][cH:42][cH:41]1)=[O:33])([CH3:39])[CH3:40])=[O:37]

Participants

8

Reactant 7

HCID 674DimethylamineHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592755572-(3-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)benzamido)-2-methylpropanoic acid

Product 1

HCID 592754265-(3-(1-(Dimethylamino)-2-methyl-1-oxopropan-2-ylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-7341c10e2eb144719a3f8049635a47bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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