Acetate → HCID 11443036, compound

HRID 2161470Notes

Reaction equation

HRID 2161470 reaction equation
[C:34]([O-:35])(=[O:36])[CH3:37].[CH3:39][CH2:40][OH:41].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11]([CH:22]=[C:23]([C:24](=[O:25])[OH:26])[c:27]3[cH:28][c:29]([CH3:33])[cH:30][cH:31][cH:32]3)[nH:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[cH:5][cH:6][c:7]1[Cl:8].[Na+:38]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11]([CH2:22][CH:23]([C:24](=[O:25])[OH:26])[c:27]3[cH:28][c:29]([CH3:33])[cH:30][cH:31][cH:32]3)[nH:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

5

Reactant 4

HCID 175AcetateHCID 702EthanolHCID 923Sodium ionHCID 69307532HCID 69307532, compound

Product 1

HCID 11443036HCID 11443036, compound

Sources & evidence

ORD record
ord-1dd6085a9e7246dcb9b49a7178a2f41a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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