Bicarbonate Ion → HCID 67009962, compound

HRID 684108Notes

Reaction equation

HRID 684108 reaction equation
[C:1](=[O:2])([CH3:3])[C:4]1([CH2:8][O:9][CH:10]2[CH2:11][CH2:12][CH:13]([n:16]3[c:17]4[n:18]([c:19]([CH2:39][CH2:40][CH3:41])[c:20]([CH2:23][c:24]5[c:25]([F:38])[cH:26][c:27](-[c:30]6[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]6)[cH:28][cH:29]5)[c:21]3=[O:22])[n:42][cH:43][n:44]4)[CH2:14][CH2:15]2)[CH2:5][CH2:6][CH2:7]1.[C:61](=[O:62])([O-:63])[OH:64].[CH:73]([Cl:74])([Cl:75])[Cl:76].[F:48][C:49]([F:50])([F:52])[C:53](=[O:51])[O:54][C:55](=[O:56])[C:57]([F:58])([F:59])[F:60].[Na+:65].[Na+:71].[Na+:72].[OH2:45].[OH:46][OH:47].[S:66]([O-:67])([O-:68])(=[O:69])=[S:70]>>[C:4]1([CH2:8][O:9][CH:10]2[CH2:11][CH2:12][CH:13]([n:16]3[c:17]4[n:18]([c:19]([CH2:39][CH2:40][CH3:41])[c:20]([CH2:23][c:24]5[c:25]([F:38])[cH:26][c:27](-[c:30]6[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]6)[cH:28][cH:29]5)[c:21]3=[O:22])[n:42][cH:43][n:44]4)[CH2:14][CH2:15]2)([OH:51])[CH2:5][CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 784Hydrogen PeroxideHCID 923Sodium ion3×HCID 962WaterHCID 1084Thiosulfate ionHCID 6212ChloroformHCID 9845Trifluoroacetic anhydrideHCID 67008604HCID 67008604, compound

Product 1

HCID 67009962HCID 67009962, compound

Sources & evidence

ORD record
ord-8e0769fc3c9d475b926482c6b37df419
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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