Acetic Acid → HCID 19858061, compound

HRID 166921Notes

Reaction equation

HRID 166921 reaction equation
[Br:1][CH2:2][c:3]1[c:4]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:5][c:6]2[cH:7][c:8]([S:19](=[O:20])(=[O:21])[CH3:22])[c:9]3[c:13]([c:14]2[cH:15]1)[C:12]([CH3:16])([CH3:17])[C:11](=[O:18])[O:10]3.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][C:43]#[N:44].[K+:36].[K+:37].[OH2:45].[nH:27]1[n:28][cH:29][n:30][cH:31]1>>[CH2:2]([c:3]1[c:4]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:5][c:6]2[cH:7][c:8]([S:19](=[O:20])(=[O:21])[CH3:22])[c:9]3[c:13]([c:14]2[cH:15]1)[C:12]([CH3:16])([CH3:17])[C:11](=[O:18])[O:10]3)[n:27]1[n:28][cH:29][n:30][cH:31]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 92571H-1,2,4-TriazoleHCID 19660Carbonate IonHCID 19858047HCID 19858047, compound

Product 1

HCID 19858061HCID 19858061, compound

Sources & evidence

ORD record
ord-0e32ac56136f4546bef5ab1147992905
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…