Ethanol → E 4441

HRID 165729Notes

Reaction equation

HRID 165729 reaction equation
[CH3:34][CH2:35][OH:36].[CH:1]1([n:4]2[cH:5][c:6]([C:29](=[O:30])[OH:31])[c:7](=[O:28])[c:8]3[cH:9][c:10]([F:27])[c:11]([N:15]4[CH2:16][C:17]([NH:19][C:20](=[O:21])[C:22]([F:23])([F:24])[F:25])([CH3:26])[CH2:18]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[Na+:33].[OH-:32]>>[CH:1]1([n:4]2[cH:5][c:6]([C:29](=[O:30])[OH:31])[c:7](=[O:28])[c:8]3[cH:9][c:10]([F:27])[c:11]([N:15]4[CH2:16][C:17]([NH2:19])([CH3:26])[CH2:18]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 230517821-Cyclopropyl-6,8-difluoro-7-(3-methyl-3-trifluoroacetamido-1-azetidinyl)-4-oxo-3-quinolinecarboxylic acid

Product 1

HCID 130229E 4441

Sources & evidence

ORD record
ord-62734ec86de3400cb34628271e8f061a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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