Acetate → HCID 178526311, compound

HRID 191780Notes

Reaction equation

HRID 191780 reaction equation
[CH3:46][C:47](=[O:48])[O-:49].[CH3:51][OH:52].[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[ClH:42].[ClH:50].[NH2:43][OH:44].[Na+:45].[OH:1][CH:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][c:9]2[c:17]1-[c:16]1[c:11]([cH:12][cH:13][cH:14][cH:15]1)[C:10]2=[O:18])[CH2:19][NH:20][CH2:21][CH:22]1[CH2:23][CH2:24][N:25]([c:28]2[cH:29][cH:30][n:31][c:32]3[cH:33][c:34]([C:38]([F:39])([F:40])[F:41])[cH:35][cH:36][c:37]23)[CH2:26][CH2:27]1>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][c:9]2[c:17]1-[c:16]1[c:11]([cH:12][cH:13][cH:14][cH:15]1)[C:10]2=[N:43][OH:44])[CH2:19][NH:20][CH2:21][CH:22]1[CH2:23][CH2:24][N:25]([c:28]2[cH:29][cH:30][n:31][c:32]3[cH:33][c:34]([C:38]([F:39])([F:40])[F:41])[cH:35][cH:36][c:37]23)[CH2:26][CH2:27]1

Participants

8

Reactant 7

HCID 175AcetateHCID 313Hydrochloric Acid2×HCID 787HydroxylamineHCID 887MethanolHCID 923Sodium ionHCID 3283Diethyl EtherHCID 23553518HCID 23553518, compound

Product 1

HCID 178526311HCID 178526311, compound

Sources & evidence

ORD record
ord-e5dd1680205a47a9a2b09f8ce14af650
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…