Acetonitrile → HCID 178509361, compound

HRID 1221670Notes

Reaction equation

HRID 1221670 reaction equation
[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][C:39]#[N:40].[CH:22]12[O:23][CH2:24][CH2:25][NH:26][CH:27]1[CH2:28][NH:29][CH2:30]2.[Cl:1][c:2]1[c:3]([F:21])[cH:4][c:5]2[c:6](=[O:20])[c:7]([C:17](=[O:18])[OH:19])[cH:8][n:9]([CH:14]3[CH2:15][CH2:16]3)[c:10]2[c:11]1[C:12]#[N:13]>>[c:2]1([C:22]23[O:23][CH2:24][CH2:25][NH:26][CH:27]2[CH2:28][NH:29][CH2:30]3)[c:3]([F:21])[cH:4][c:5]2[c:6](=[O:20])[c:7]([C:17](=[O:18])[OH:19])[cH:8][n:9]([CH:14]3[CH2:15][CH2:16]3)[c:10]2[c:11]1[C:12]#[N:13]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 15069981Octahydropyrrolo[3,4-b][1,4]oxazineHCID 153471917-Chloro-8-cyano-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Product 1

HCID 178509361HCID 178509361, compound

Sources & evidence

ORD record
ord-d4300a3acd5b471db308a534f186e715
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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