Acetonitrile → Ethyl 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

HRID 1562537Notes

Reaction equation

HRID 1562537 reaction equation
[C:1](#[N:2])[c:3]1[c:4]([F:23])[c:5]([F:22])[cH:6][c:7]2[c:8](=[O:21])[c:9]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:10][n:11]([CH:13]3[CH2:14][CH2:15]3)[c:12]12.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][C:41]#[N:42].[CH:24]12[NH:25][CH2:26][CH2:27][CH2:28][CH:29]1[CH2:30][NH:31][CH2:32]2>>[C:1](#[N:2])[c:3]1[c:4]([N:31]2[CH2:30][CH:29]3[CH:24]([NH:25][CH2:26][CH2:27][CH2:28]3)[CH2:32]2)[c:5]([F:22])[cH:6][c:7]2[c:8](=[O:21])[c:9]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:10][n:11]([CH:13]3[CH2:14][CH2:15]3)[c:12]12

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 5154241Octahydro-1H-pyrrolo[3,4-b]pyridineHCID 18417531Ethyl 8-cyano-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate

Product 1

HCID 22250068Ethyl 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

Sources & evidence

ORD record
ord-3bc919b63fd04626aad7b97b79917483
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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