Dimethyl Sulfoxide → HCID 54470582, compound

HRID 282034Notes

Reaction equation

HRID 282034 reaction equation
[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([CH:34]2[CH2:35][NH:36][CH2:37][CH2:38][NH:39]2)[cH:32][cH:33]1.[CH3:40][S:41](=[O:42])[CH3:43].[CH:1]1([n:4]2[cH:5][c:6]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:7](=[O:20])[c:8]3[cH:9][c:10]4[c:11]([n:12][c:13]23)[cH:14][c:15]([F:19])[c:16]([F:18])[cH:17]4)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:7](=[O:20])[c:8]3[cH:9][c:10]4[c:11]([n:12][c:13]23)[cH:14][c:15]([N:36]2[CH2:35][CH:34]([c:31]3[cH:30][cH:29][c:28]([O:27][CH3:26])[cH:33][cH:32]3)[NH:39][CH2:38][CH2:37]2)[c:16]([F:18])[cH:17]4)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 27717532-(4-methoxyphenyl)piperazineHCID 148533401-Cyclopropyl-3-ethoxycarbonyl-7,8-difluoro-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

Product 1

HCID 54470582HCID 54470582, compound

Sources & evidence

ORD record
ord-4d978ed489a240c0929e347700a4631f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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