Acetate → HCID 13589487, compound

HRID 702171Notes

Reaction equation

HRID 702171 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[C:7]([CH:24]=[N:25][OH:26])[NH:8][c:9]2[n:10]([cH:21][cH:22][n:23]2)[CH:11]1[c:12]1[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]1.[CH3:28][C:29](=[O:30])[O-:31].[CH3:32][C:33]([O:34][C:35](=[O:36])[CH3:37])=[O:38].[CH3:40][C:41](=[O:42])[OH:43].[Na+:27].[OH2:39]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[C:7]([C:24]#[N:25])[NH:8][c:9]2[n:10]([cH:21][cH:22][n:23]2)[CH:11]1[c:12]1[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]1

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 7918Acetic AnhydrideHCID 86743865HCID 86743865, compound

Product 1

HCID 13589487HCID 13589487, compound

Sources & evidence

ORD record
ord-9602b493078546a78258218632574511
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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