Bicarbonate Ion → HCID 58017569, compound

HRID 148566Notes

Reaction equation

HRID 148566 reaction equation
[CH3:49][S:50]([O-:51])(=[O:52])=[O:53].[CH3:54][O:55][C:56](=[O:57])[c:58]1[cH:59][cH:60][c:61]([C:64]2([NH3+:67])[CH2:65][CH2:66]2)[cH:62][cH:63]1.[CH3:87][CH2:88][O:89][C:90]([CH3:91])=[O:92].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[F:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7]([CH2:14][c:15]3[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]3)[c:8]2[c:9]([C:11](=[O:12])[OH:13])[cH:10]1.[Na+:81].[O-:77][C:78]([OH:79])=[O:80].[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[F:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7]([CH2:14][c:15]3[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]3)[c:8]2[c:9]([C:11](=[O:12])[NH:67][C:64]2([c:61]3[cH:60][cH:59][c:58]([C:56]([O:55][CH3:54])=[O:57])[cH:63][cH:62]3)[CH2:65][CH2:66]2)[cH:10]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 85257MethanesulfonateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57468551HCID 57468551, compoundHCID 58017570HCID 58017570, compound

Product 1

HCID 58017569HCID 58017569, compound

Sources & evidence

ORD record
ord-c2744de4d28f47fd8417ce7d07643c92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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