Sodium ion → 6-(2-Fluoropyridin-3-yl)-2-[3-[1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]-1,2,4-triazine-3,5-dione

HRID 2128333Notes

Reaction equation

HRID 2128333 reaction equation
[Br:1][c:2]1[c:3](=[O:28])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[n:7]1.[CH3:70][O:71][CH2:72][CH2:73][O:74][CH3:75].[CH3:77][O:78][CH2:79][CH2:80][O:81][CH3:82].[F:29][c:30]1[n:31][cH:32][cH:33][cH:34][c:35]1[B:36]([OH:37])[OH:38].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[OH2:76].[c:45]1(-[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][c:56]1[P:57]([CH:58]1[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1)[CH:64]1[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1>>[c:2]1(-[c:35]2[c:30]([F:29])[n:31][cH:32][cH:33][cH:34]2)[c:3](=[O:28])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[n:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-Dimethoxyethane2×HCID 19660Carbonate IonHCID 27342162-(Dicyclohexylphosphino)biphenylHCID 27832702-Fluoropyridine-3-boronic acidHCID 178518753HCID 178518753, compound

Product 1

HCID 594960906-(2-Fluoropyridin-3-yl)-2-[3-[1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]-1,2,4-triazine-3,5-dione

Sources & evidence

ORD record
ord-ea53c06449be4a07a3e5605817895551
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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