Acetate → HCID 57642825, compound

HRID 2349692Notes

Reaction equation

HRID 2349692 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][N:21]([c:24]2[c:25]3[n:26][c:27]([Cl:42])[n:28]([CH2:33][c:34]4[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]4)[c:29]3[n:30][cH:31][n:32]2)[CH2:22][CH2:23]1.[C:6](=[O:7])([OH:8])[O-:9].[CH3:2][C:3]([O-:4])=[O:5].[CH3:43][S:44]([CH3:45])=[O:46].[Na+:10].[Na+:1]>>[O:4]=[c:27]1[nH:26][c:25]2[c:24]([N:21]3[CH2:20][CH2:19][N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:23][CH2:22]3)[n:32][cH:31][n:30][c:29]2[n:28]1[CH2:33][c:34]1[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]1

Participants

6

Reactant 5

HCID 175AcetateHCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 57642834HCID 57642834, compound

Product 1

HCID 57642825HCID 57642825, compound

Sources & evidence

ORD record
ord-462ef8f2ef484ab999c20be8651c17f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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