Acetate → HCID 21110585, compound

HRID 2162291Notes

Reaction equation

HRID 2162291 reaction equation
[CH3:32][C:33]([O-:34])=[O:35].[CH3:36][C:37](=[O:38])[OH:39].[Cl:1][c:2]1[n:3][n:4][c:5]([CH2:8][c:9]2[c:10]([O:29][CH3:30])[cH:11][cH:12][c:13]([O:15][c:16]3[c:17]4[c:21]([c:22]([N+:26](=[O:27])[O-:28])[cH:23][c:24]3[CH3:25])[CH2:20][CH2:19][CH2:18]4)[cH:14]2)[cH:6][cH:7]1.[Na+:31]>>[c:2]1(=[O:34])[nH:3][n:4][c:5]([CH2:8][c:9]2[c:10]([O:29][CH3:30])[cH:11][cH:12][c:13]([O:15][c:16]3[c:17]4[c:21]([c:22]([N+:26](=[O:27])[O-:28])[cH:23][c:24]3[CH3:25])[CH2:20][CH2:19][CH2:18]4)[cH:14]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 23031262HCID 23031262, compound

Product 1

HCID 21110585HCID 21110585, compound

Sources & evidence

ORD record
ord-b581b2fa069042fc85a2616b88853720
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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