Hexahydro-1,4-diazepine → 3-Ethoxycarbonyl-7,9-difluoro-1-methyl-4-oxo-8-(perhydro-1,4-diazepin-1-yl)-1,4-dihydro-benzo[b][1,8]naphthyridine

HRID 166465Notes

Reaction equation

HRID 166465 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:24])[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]2[n:14]([CH3:16])[cH:15]1)[c:17]([F:23])[c:18]([F:22])[c:19]([F:21])[cH:20]3.[NH:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30][CH2:31]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:24])[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]2[n:14]([CH3:16])[cH:15]1)[c:17]([F:23])[c:18]([N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30][CH2:31]1)[c:19]([F:21])[cH:20]3

Participants

3

Reactant 2

HCID 68163Hexahydro-1,4-diazepineHCID 194236883-Ethoxycarbonyl-7,8,9-trifluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

Product 1

HCID 200632913-Ethoxycarbonyl-7,9-difluoro-1-methyl-4-oxo-8-(perhydro-1,4-diazepin-1-yl)-1,4-dihydro-benzo[b][1,8]naphthyridine

Sources & evidence

ORD record
ord-85cbfa70a977438c905be540673116c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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