Acetonitrile → HCID 19837184, compound

HRID 667675Notes

Reaction equation

HRID 667675 reaction equation
[CH3:22][O:23][C:24](=[O:25])[NH:26][CH:27]1[CH2:28][NH:29][CH2:30][CH:31]1[CH2:32][CH3:33].[CH3:43][C:44]#[N:45].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[NH2:1][c:2]1[c:3]2[c:4](=[O:21])[c:5]([C:18](=[O:19])[OH:20])[cH:6][n:7]([CH:15]3[CH2:16][CH2:17]3)[c:8]2[c:9]([F:14])[c:10]([F:13])[c:11]1[F:12]>>[NH2:1][c:2]1[c:3]2[c:4](=[O:21])[c:5]([C:18](=[O:19])[OH:20])[cH:6][n:7]([CH:15]3[CH2:16][CH2:17]3)[c:8]2[c:9]([F:14])[c:10]([N:29]2[CH2:28][CH:27]([NH:26][C:24]([O:23][CH3:22])=[O:25])[CH:31]([CH2:32][CH3:33])[CH2:30]2)[c:11]1[F:12]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 139109475-Amino-1-cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 19837183HCID 19837183, compound

Product 1

HCID 19837184HCID 19837184, compound

Sources & evidence

ORD record
ord-60fcfe779ff542cd8e0b90b2098e9ab4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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