Acetate → HCID 86591947, compound

HRID 1129928Notes

Reaction equation

HRID 1129928 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[n:17]([CH3:34])[c:18](=[O:33])[n:19]([CH3:32])[c:20](=[O:31])[c:21]3[n:22]2-[c:23]2[c:24]([CH:29]=[O:30])[cH:25][cH:26][cH:27][cH:28]2)[CH2:12][CH2:13]1.[CH3:39][C:40](=[O:41])[O-:42].[CH3:43][CH2:44][OH:45].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[ClH:35].[K+:38].[NH2:36][OH:37].[OH2:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[n:17]([CH3:34])[c:18](=[O:33])[n:19]([CH3:32])[c:20](=[O:31])[c:21]3[n:22]2-[c:23]2[c:24]([CH:29]=[N:36][OH:37])[cH:25][cH:26][cH:27][cH:28]2)[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 787HydroxylamineHCID 813Potassium CationHCID 962WaterHCID 8857Ethyl AcetateHCID 23081908HCID 23081908, compound

Product 1

HCID 86591947HCID 86591947, compound

Sources & evidence

ORD record
ord-84834dc8045a4e1cb5064918d1b1333f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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