Bicarbonate Ion → HCID 59135917, compound

HRID 1152324Notes

Reaction equation

HRID 1152324 reaction equation
[CH2:36]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:48]1)[S:43][C:44]([CH2:45][NH:46][C:47](=[O:37])[c:49]1[nH:50][c:51]2[c:52]([N:58]([S:59](=[O:60])(=[O:61])[c:62]3[s:63][cH:64][cH:65][cH:66]3)[CH3:67])[cH:53][cH:54][cH:55][c:56]2[cH:57]1)([CH2:68][N:69]1[CH2:70][CH2:71][O:72][CH2:73][CH2:74]1)[CH3:75].[CH3:81][C:82]#[N:83].[F:21][C:22]([S:23]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])(=[O:32])=[O:33])([F:34])[F:35].[Na+:76].[OH:77][C:78](=[O:79])[O-:80].[c:1]1([P:2](=[O:3])([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[S:43]1[C:44]([CH2:68][N:69]2[CH2:70][CH2:71][O:72][CH2:73][CH2:74]2)([CH3:75])[CH2:45][N:46]=[C:47]1[c:49]1[nH:50][c:51]2[c:52]([N:58]([S:59](=[O:60])(=[O:61])[c:62]3[s:63][cH:64][cH:65][cH:66]3)[CH3:67])[cH:53][cH:54][cH:55][c:56]2[cH:57]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 13097Triphenylphosphine OxideHCID 67749Trifluoromethanesulfonic anhydrideHCID 59136130HCID 59136130, compound

Product 1

HCID 59135917HCID 59135917, compound

Sources & evidence

ORD record
ord-d9f9f7d2ee934770b8de47693827d0e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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