Dimethyl Sulfoxide → HCID 19423779, compound

HRID 682675Notes

Reaction equation

HRID 682675 reaction equation
[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:46][S:47](=[O:48])[CH3:49].[CH3:6][S:7]([OH:8])(=[O:9])=[O:10].[F:24][c:25]1[cH:26][c:27]2[c:28]([n:29][c:30]3[n:31]([CH3:41])[cH:32][c:33]([C:38](=[O:39])[OH:40])[c:34](=[O:37])[c:35]3[cH:36]2)[cH:42][c:43]1[F:44].[NH2:11][CH:12]1[CH:13]([CH3:16])[NH:14][CH2:15]1.[OH2:45]>>[NH2:11][CH:12]1[CH:13]([CH3:16])[N:14]([c:43]2[c:25]([F:24])[cH:26][c:27]3[c:28]([n:29][c:30]4[n:31]([CH3:41])[cH:32][c:33]([C:38](=[O:39])[OH:40])[c:34](=[O:37])[c:35]4[cH:36]3)[cH:42]2)[CH2:15]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 6395Methanesulfonic Acid2×HCID 8471TriethylamineHCID 111970267,8-Difluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acidHCID 14852454HCID 14852454, compound

Product 1

HCID 19423779HCID 19423779, compound

Sources & evidence

ORD record
ord-012e650b7e1645a491c40ab63bc73be8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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