Bicarbonate Ion → HCID 57665466, compound

HRID 2336644Notes

Reaction equation

HRID 2336644 reaction equation
[CH3:25][c:26]1[n:27][c:28](-[c:45]2[cH:46][cH:47][c:48]([C:51]([F:52])([F:53])[F:54])[cH:49][cH:50]2)[s:29][c:30]1[CH2:31][NH:32][c:33]1[cH:34][cH:35][c:36]([CH:39]2[CH:40]([C:42](=[O:43])[OH:44])[CH2:41]2)[cH:37][cH:38]1.[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[Na+:67].[O-:63][C:64]([OH:65])=[O:66].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:55]1[cH:56][cH:57][c:58]([CH2:61][NH2:62])[cH:59][cH:60]1.[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>>[CH3:25][c:26]1[n:27][c:28](-[c:45]2[cH:46][cH:47][c:48]([C:51]([F:52])([F:53])[F:54])[cH:49][cH:50]2)[s:29][c:30]1[CH2:31][NH:32][c:33]1[cH:34][cH:35][c:36]([CH:39]2[CH:40]([C:42](=[O:43])[NH:62][CH2:61][c:58]3[cH:57][cH:56][n:55][cH:60][cH:59]3)[CH2:41]2)[cH:37][cH:38]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 773174-PyridinemethanamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 46232307HCID 46232307, compound

Product 1

HCID 57665466HCID 57665466, compound

Sources & evidence

ORD record
ord-78f7d262f0d745e5b3a23289b2e51deb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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