Bicarbonate Ion → HCID 67008766, compound

HRID 2312953Notes

Reaction equation

HRID 2312953 reaction equation
[C:1](=[O:2])([CH3:3])[CH:4]1[CH2:5][CH:6]([n:8]2[c:9]3[n:10]([c:11]([CH2:31][CH2:32][CH3:33])[c:12]([CH2:15][c:16]4[c:17]([F:30])[cH:18][c:19](-[c:22]5[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:34][cH:35][n:36]3)[CH2:7]1.[C:52](=[O:53])([O-:54])[OH:55].[CH:64]([Cl:65])([Cl:66])[Cl:67].[F:39][C:40]([F:41])([F:43])[C:44](=[O:42])[O:45][C:46](=[O:47])[C:48]([F:49])([F:50])[F:51].[Na+:56].[Na+:62].[Na+:63].[OH:37][OH:38].[S:57]([O-:58])([O-:59])(=[O:60])=[S:61]>>[CH:4]1([OH:42])[CH2:5][CH:6]([n:8]2[c:9]3[n:10]([c:11]([CH2:31][CH2:32][CH3:33])[c:12]([CH2:15][c:16]4[c:17]([F:30])[cH:18][c:19](-[c:22]5[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:34][cH:35][n:36]3)[CH2:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 784Hydrogen PeroxideHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6212ChloroformHCID 9845Trifluoroacetic anhydrideHCID 67008964HCID 67008964, compound

Product 1

HCID 67008766HCID 67008766, compound

Sources & evidence

ORD record
ord-b7f0c60221e04e65b2780a12bf481865
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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