Acetate → HCID 72237047, compound

HRID 305702Notes

Reaction equation

HRID 305702 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:15]=[CH:16][C:17](=[O:18])[N:19]2[CH2:20][CH:21]([CH:30]=[O:31])[CH:22]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:23]2)[cH:6][cH:7][c:8]1-[n:9]1[cH:10][n:11][c:12]([CH3:14])[cH:13]1.[CH3:36][C:37](=[O:38])[O-:39].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][CH2:53][OH:54].[ClH:32].[NH2:33][OH:34].[Na+:35].[Na+:45].[OH2:40]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:15]=[CH:16][C:17](=[O:18])[N:19]2[CH2:20][CH:21]([CH:30]=[N:33][OH:34])[CH:22]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:23]2)[cH:6][cH:7][c:8]1-[n:9]1[cH:10][n:11][c:12]([CH3:14])[cH:13]1

Participants

10

Reactant 9

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 787HydroxylamineHCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 90794000HCID 90794000, compound

Product 1

HCID 72237047HCID 72237047, compound

Sources & evidence

ORD record
ord-b060ba38c6d74dd0841be3435fb84bc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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