Bicarbonate Ion → HCID 57503215, compound

HRID 678741Notes

Reaction equation

HRID 678741 reaction equation
[CH2:36]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:48]1)[S:43][CH:44]([CH2:45][NH:46][C:47](=[O:37])[c:49]1[nH:50][c:51]2[c:52]([N:59]([S:60](=[O:61])(=[O:62])[c:63]3[s:64][cH:65][cH:66][cH:67]3)[CH3:68])[cH:53][cH:54][c:55]([CH3:58])[c:56]2[cH:57]1)[C:69]#[N:70].[CH3:71][S:72][CH3:73].[CH3:79][C:80]#[N:81].[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+:74].[OH:75][C:76](=[O:77])[O-:78].[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[CH:44]([C:69]#[N:70])[CH2:45][N:46]=[C:47]1[c:49]1[nH:50][c:51]2[c:52]([N:59]([S:60](=[O:61])(=[O:62])[c:63]3[s:64][cH:65][cH:66][cH:67]3)[CH3:68])[cH:53][cH:54][c:55]([CH3:58])[c:56]2[cH:57]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1068Dimethyl SulfideHCID 6342AcetonitrileHCID 13097Triphenylphosphine OxideHCID 67749Trifluoromethanesulfonic anhydrideHCID 67487301HCID 67487301, compound

Product 1

HCID 57503215HCID 57503215, compound

Sources & evidence

ORD record
ord-ec66939e95424a34a6525445ab6fc001
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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