Acetic Acid → HCID 19081127, compound

HRID 667508Notes

Reaction equation

HRID 667508 reaction equation
[Br:33][CH2:34][C:35](=[O:36])[O:37][CH3:38].[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][C:11](=[O:12])[NH:13][CH:14]1[C:15](=[O:32])[NH:16][c:17]2[c:18]([cH:28][cH:29][cH:30][cH:31]2)[C:19]([c:21]2[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]2)=[N:20]1.[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[H-:1].[Na+:2].[OH2:48]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][C:11](=[O:12])[NH:13][CH:14]1[C:15](=[O:32])[N:16]([CH2:34][C:35](=[O:36])[O:37][CH3:38])[c:17]2[c:18]([cH:28][cH:29][cH:30][cH:31]2)[C:19]([c:21]2[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]2)=[N:20]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 60984Methyl bromoacetateHCID 166653HydrideHCID 13953699HCID 13953699, compound

Product 1

HCID 19081127HCID 19081127, compound

Sources & evidence

ORD record
ord-6b5afcfa1e824a9684bb296ee3388e03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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