Bicarbonate Ion → HCID 58024751, compound

HRID 1546739Notes

Reaction equation

HRID 1546739 reaction equation
[Br:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[NH:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[OH:42])[cH:43][cH:44]1.[C:76](=[O:77])([OH:78])[O-:79].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[NH2:54][CH2:55][c:56]1[c:57]([NH:69][CH:70]2[CH2:71][CH2:72][O:73][CH2:74][CH2:75]2)[c:58]2[c:59]([n:60][c:61]1[CH2:62][CH3:63])[n:64]([CH2:67][CH3:68])[n:65][cH:66]2.[Na+:80].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[Br:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[NH:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:42])[NH:54][CH2:55][c:56]2[c:57]([NH:69][CH:70]3[CH2:71][CH2:72][O:73][CH2:74][CH2:75]3)[c:58]3[c:59]([n:60][c:61]2[CH2:62][CH3:63])[n:64]([CH2:67][CH3:68])[n:65][cH:66]3)[cH:43][cH:44]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58024763HCID 58024763, compoundHCID 596832145-(Aminomethyl)-1,6-diethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine

Product 1

HCID 58024751HCID 58024751, compound

Sources & evidence

ORD record
ord-983593718cf0472097dd4ecd32003bdb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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