Acetate → HCID 11756905, compound

HRID 2318580Notes

Reaction equation

HRID 2318580 reaction equation
[C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])(=[O:51])[CH3:52].[CH3:41][C:42](=[O:43])[O-:44].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:62][OH:63].[Cl:31][c:32]1[nH:33][cH:34][c:35]([N+:37](=[O:38])[O-:39])[n:36]1.[Na+:40].[Na+:54].[O:1]1[C:2]([CH2:3][O:4][c:5]2[cH:6][cH:7][c:8]([N:11]3[CH2:12][CH2:13][CH:14]([O:17][c:18]4[cH:19][cH:20][c:21]([O:24][C:25]([F:26])([F:27])[F:28])[cH:22][cH:23]4)[CH2:15][CH2:16]3)[cH:9][cH:10]2)([CH3:30])[CH2:29]1.[OH-:53].[OH2:61]>>[O:1]1[C:2]([CH2:3][O:4][c:5]2[cH:6][cH:7][c:8]([N:11]3[CH2:12][CH2:13][CH:14]([O:17][c:18]4[cH:19][cH:20][c:21]([O:24][C:25]([F:26])([F:27])[F:28])[cH:22][cH:23]4)[CH2:15][CH2:16]3)[cH:9][cH:10]2)([CH3:30])[CH2:29][n:33]2[c:32]1[n:36][c:35]([N+:37](=[O:38])[O-:39])[cH:34]2

Participants

10

Reactant 9

HCID 175AcetateHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 10908tert-Butyl acetateHCID 87378200HCID 87378200, compoundHCID 178526855HCID 178526855, compound

Product 1

HCID 11756905HCID 11756905, compound

Sources & evidence

ORD record
ord-96fcd7ee74904b30bc545524ae722e28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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