Acetic Acid → 6-[4-[4-[5-(Acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

HRID 296624Notes

Reaction equation

HRID 296624 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8]2[c:19]3[c:12]([c:13]([N:21]4[CH2:22][CH2:23][N:24]([c:27]5[c:28]([F:44])[cH:29][c:30]([N:33]6[C:34](=[O:43])[O:35][CH:36]([CH2:38][NH:39][C:40]([CH3:41])=[O:42])[CH2:37]6)[cH:31][cH:32]5)[CH2:25][CH2:26]4)[c:14]([F:20])[cH:15][c:16]3[c:17]1=[O:18])[O:11][CH2:10][N:9]2[CH3:45].[CH3:47][C:48](=[O:49])[OH:50].[Cl:51][CH2:52][Cl:53].[ClH:46].[F:54][C:55]([F:56])([F:57])[C:58]([OH:59])=[O:60]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][n:8]2[c:19]3[c:12]([c:13]([N:21]4[CH2:22][CH2:23][N:24]([c:27]5[c:28]([F:44])[cH:29][c:30]([N:33]6[C:34](=[O:43])[O:35][CH:36]([CH2:38][NH:39][C:40]([CH3:41])=[O:42])[CH2:37]6)[cH:31][cH:32]5)[CH2:25][CH2:26]4)[c:14]([F:20])[cH:15][c:16]3[c:17]1=[O:18])[O:11][CH2:10][N:9]2[CH3:45]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 77257781Ethyl 6-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate

Product 1

HCID 595227886-[4-[4-[5-(Acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Sources & evidence

ORD record
ord-7bba4a9165da4fc3a65a644323f4a894
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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