Acetate → HCID 54586777, compound

HRID 152265Notes

Reaction equation

HRID 152265 reaction equation
[CH3:28][C:29](=[O:30])[O-:31].[CH3:32][OH:33].[Cl:1][c:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][CH:11]([CH:14]3[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[n:5][cH:6][n:7]1.[Na+:27].[OH2:34]>>[cH:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][CH:11]([CH:14]3[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[n:5][cH:6][n:7]1

Participants

6

Reactant 5

HCID 175AcetateHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 59178818HCID 59178818, compound

Product 1

HCID 54586777HCID 54586777, compound

Sources & evidence

ORD record
ord-068c10cb0aed440c9e7a061b1f4ad4a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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