Acetonitrile → 1-Cyclopropyl-7-[3-[(ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid

HRID 104588Notes

Reaction equation

HRID 104588 reaction equation
[CH2:22]([CH3:23])[NH:24][CH2:25][CH:26]1[CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][C:39]#[N:40].[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[c:9]([CH3:17])[c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[c:9]([CH3:17])[c:10]([F:16])[c:11]([N:28]4[CH2:27][CH:26]([CH2:25][NH:24][CH2:22][CH3:23])[CH2:30][CH2:29]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 13491786Ethyl-pyrrolidin-3-ylmethyl-amineHCID 146512581-Cyclopropyl-5-methyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Product 1

HCID 146512021-Cyclopropyl-7-[3-[(ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-da5872e5b75e40018b50727a3c4baa1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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