Bicarbonate Ion → HCID 67008766, compound

HRID 1211437Notes

Reaction equation

HRID 1211437 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].[CH3:64][C:65]#[N:66].[CH:67]([Cl:68])([Cl:69])[Cl:70].[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

9

Reactant 8

HCID 769Bicarbonate IonHCID 784Hydrogen PeroxideHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6212ChloroformHCID 6342AcetonitrileHCID 9845Trifluoroacetic anhydrideHCID 67008964HCID 67008964, compound

Product 1

HCID 67008766HCID 67008766, compound

Sources & evidence

ORD record
ord-d395b388a411485399e3debf756f3d2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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