Bicarbonate Ion → HCID 20746078, compound

HRID 1132802Notes

Reaction equation

HRID 1132802 reaction equation
[CH3:1][c:2]1[n:3]([C:24]([NH:25][CH3:26])=[O:27])[c:4]2[cH:5][cH:6][c:7]([O:11][c:12]3[c:13]4[c:14]([n:15][cH:16][cH:17]3)[cH:18][c:19]([C:21](=[O:22])[OH:23])[s:20]4)[cH:8][c:9]2[cH:10]1.[CH3:28][NH:29][CH2:30][CH2:31][OH:32].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Na+:70].[O-:66][C:67]([OH:68])=[O:69].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH3:1][c:2]1[n:3]([C:24]([NH:25][CH3:26])=[O:27])[c:4]2[cH:5][cH:6][c:7]([O:11][c:12]3[c:13]4[c:14]([n:15][cH:16][cH:17]3)[cH:18][c:19]([C:21](=[O:22])[N:29]([CH3:28])[CH2:30][CH2:31][OH:32])[s:20]4)[cH:8][c:9]2[cH:10]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 80162-(Methylamino)ethanolHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22603639HCID 22603639, compound

Product 1

HCID 20746078HCID 20746078, compound

Sources & evidence

ORD record
ord-020cd546229b4104b9e2e64fa366a54c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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