Bicarbonate Ion → HCID 58575577, compound

HRID 1134761Notes

Reaction equation

HRID 1134761 reaction equation
[Br:27][c:28]1[cH:29][c:30]2[c:31]([nH:32][c:33](=[O:34])[c:35]3[n:36]2[c:37]([CH:38]2[CH2:39][CH2:40][O:41][CH2:42][CH2:43]2)[n:44][n:45]3)[cH:46][c:47]1[C:48]([OH:49])=[O:50].[C:93](=[O:94])([O-:95])[OH:96].[CH2:51]1[NH:52][CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]21.[CH3:98][N:99]([CH3:100])[CH:101]=[O:102].[CH:1]1([c:4]2[c:5]([C:24](=[O:25])[OH:26])[cH:6][c:7]3[nH:8][c:9](=[O:23])[c:10]4[n:11]([c:12]3[cH:13]2)[c:14]([CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:15][n:16]4)[CH2:2][CH2:3]1.[CH:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH2:65][CH3:66])([CH3:67])[CH3:68].[Na+:97].[P-:69]([F:70])([F:71])([F:72])([F:73])([F:74])[F:75].[n:76]1([O:77][C:78]([N:79]([CH3:80])[CH3:81])=[N+:82]([CH3:83])[CH3:84])[c:85]2[n:86][cH:87][cH:88][cH:89][c:90]2[n:91][n:92]1>>[CH:1]1([c:4]2[c:5]([C:24](=[O:26])[N:52]3[CH2:51][c:59]4[c:54]([cH:55][cH:56][cH:57][cH:58]4)[CH2:53]3)[cH:6][c:7]3[nH:8][c:9](=[O:23])[c:10]4[n:11]([c:12]3[cH:13]2)[c:14]([CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:15][n:16]4)[CH2:2][CH2:3]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 422478IsoindolineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58575207HCID 58575207, compoundHCID 67133878HCID 67133878, compound

Product 1

HCID 58575577HCID 58575577, compound

Sources & evidence

ORD record
ord-c133706f22044ce8802a3dee3ebd06e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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