Bicarbonate Ion → HCID 25018891, compound

HRID 2348246Notes

Reaction equation

HRID 2348246 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([NH2:13])[cH:8][cH:9][n:10][c:11]2[cH:12]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[Na+:65].[O-:61][C:62]([OH:63])=[O:64].[O:14]=[c:15]1[n:16]([CH2:26][C:27](=[O:28])[OH:29])[cH:17][c:18](-[c:21]2[s:22][cH:23][cH:24][cH:25]2)[cH:19][cH:20]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([NH:13][C:27]([CH2:26][n:16]3[c:15](=[O:14])[cH:20][cH:19][c:18](-[c:21]4[s:22][cH:23][cH:24][cH:25]4)[cH:17]3)=[O:28])[cH:8][cH:9][n:10][c:11]2[cH:12]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 170398707-Methoxyquinolin-4-amineHCID 69232126HCID 69232126, compound

Product 1

HCID 25018891HCID 25018891, compound

Sources & evidence

ORD record
ord-29549038d1a848f4a31cdca7eba276bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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