Sodium ion → 6-{[2-(1,3-dioxolan-2-ylmethyl)-1-oxa-5-azaspiro[2.3]hex-5-yl]carbonyl}-2,3-difluoro-N-(2-fluoro-4-iodophenyl)aniline

HRID 121519Notes

Reaction equation

HRID 121519 reaction equation
[CH3:1][CH:2]([c:3]1[cH:4][c:5]([CH:6]([CH3:7])[CH3:8])[cH:9][c:10]([CH:11]([CH3:12])[CH3:13])[c:14]1[S:15](=[O:17])(=[O:18])[O:19][CH:20]([CH2:21][CH:22]1[O:23][CH2:24][CH2:25][O:26]1)[C:27]1([OH:16])[CH2:28][N:29]([C:31](=[O:32])[c:33]2[c:34]([NH:41][c:42]3[c:43]([F:49])[cH:44][c:45]([I:48])[cH:46][cH:47]3)[c:35]([F:40])[c:36]([F:39])[cH:37][cH:38]2)[CH2:30]1)[CH3:50].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[H-:51].[Na+:52].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[O:19]1[CH:20]([CH2:21][CH:22]2[O:23][CH2:24][CH2:25][O:26]2)[C:27]12[CH2:28][N:29]([C:31](=[O:32])[c:33]1[c:34]([NH:41][c:42]3[c:43]([F:49])[cH:44][c:45]([I:48])[cH:46][cH:47]3)[c:35]([F:40])[c:36]([F:39])[cH:37][cH:38]1)[CH2:30]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 166653HydrideHCID 866212721-[1-({3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-hydroxyazetidin-3-yl]-2-(1,3-dioxolan-2-yl)ethyl 2,4,6-tris(1-methylethyl)benzenesulfonate

Product 1

HCID 866212736-{[2-(1,3-dioxolan-2-ylmethyl)-1-oxa-5-azaspiro[2.3]hex-5-yl]carbonyl}-2,3-difluoro-N-(2-fluoro-4-iodophenyl)aniline

Sources & evidence

ORD record
ord-d93027ca29a24de3a4d5feae1741012a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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