Bicarbonate Ion → HCID 59136009, compound

HRID 1575726Notes

Reaction equation

HRID 1575726 reaction equation
[CH2:36]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:57]1)[S:43][C:44]1([CH2:54][NH:55][C:56](=[O:37])[c:58]2[nH:59][c:60]3[c:61]([N:67]([S:68](=[O:69])(=[O:70])[c:71]4[s:72][cH:73][cH:74][cH:75]4)[CH3:76])[cH:62][cH:63][cH:64][c:65]3[cH:66]2)[CH2:45][CH2:46][C:47]2([O:48][CH2:49][CH2:50][O:51]2)[CH2:52][CH2:53]1.[CH3:77][S:78][CH3:79].[CH3:85][C:86]#[N:87].[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+:80].[OH:81][C:82](=[O:83])[O-:84].[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]2([CH2:45][CH2:46][C:47]3([O:48][CH2:49][CH2:50][O:51]3)[CH2:52][CH2:53]2)[CH2:54][N:55]=[C:56]1[c:58]1[nH:59][c:60]2[c:61]([N:67]([S:68](=[O:69])(=[O:70])[c:71]3[s:72][cH:73][cH:74][cH:75]3)[CH3:76])[cH:62][cH:63][cH:64][c:65]2[cH:66]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1068Dimethyl SulfideHCID 6342AcetonitrileHCID 13097Triphenylphosphine OxideHCID 67749Trifluoromethanesulfonic anhydrideHCID 59135872HCID 59135872, compound

Product 1

HCID 59136009HCID 59136009, compound

Sources & evidence

ORD record
ord-a17b7100f9d74023b61894ae4db42782
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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