Acetonitrile → HCID 20231144, compound

HRID 1554685Notes

Reaction equation

HRID 1554685 reaction equation
[CH3:38][C:39]#[N:40].[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:24])[c:6]([C:21](=[O:22])[OH:23])[cH:7][n:8](-[c:14]3[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]3)[c:9]2[c:10]([F:13])[c:11]1[F:12].[NH:25]1[CH2:26][CH:27]([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:28][CH2:29]1>>[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:24])[c:6]([C:21](=[O:22])[OH:23])[cH:7][n:8](-[c:14]3[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]3)[c:9]2[c:10]([F:13])[c:11]1[N:25]1[CH2:26][CH:27]([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:28][CH2:29]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 2757234tert-butyl N-(pyrrolidin-3-yl)carbamateHCID 137283301-(4-Fluorophenyl)-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Product 1

HCID 20231144HCID 20231144, compound

Sources & evidence

ORD record
ord-d00d92269d844da386a1dbc102f310eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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