Acetate → HCID 58137740, compound

HRID 1229237Notes

Reaction equation

HRID 1229237 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[n:16][n:17][c:18]3[n:19]2[n:20][c:21]([Cl:31])[cH:22][c:23]3[C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:13][cH:14]1.[C:35]([O-:36])(=[O:37])[CH3:38].[CH3:32][CH2:33][OH:34].[CH3:40][OH:41].[Na+:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[n:16][n:17][c:18]3[n:19]2[n:20][cH:21][cH:22][c:23]3[C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 175AcetateHCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 58137757HCID 58137757, compound

Product 1

HCID 58137740HCID 58137740, compound

Sources & evidence

ORD record
ord-5f255e72ec9a4818af3cba0ff840956b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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