Sodium ion → 3-[1-Azido-2-(1,3-dioxolan-2-yl)ethyl]-1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)azetidin-3-ol

HRID 1234452Notes

Reaction equation

HRID 1234452 reaction equation
[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[N-:33]=[N+:34]=[N-:35].[Na+:32].[O:1]1[CH:2]([CH2:6][CH:7]2[O:8][C:9]23[CH2:10][N:11]([C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([F:31])[c:19]([F:30])[c:20]2[NH:21][c:22]2[c:23]([F:29])[cH:24][c:25]([I:28])[cH:26][cH:27]2)[CH2:12]3)[O:3][CH2:4][CH2:5]1>>[O:1]1[CH:2]([CH2:6][CH:7]([C:9]2([OH:8])[CH2:10][N:11]([C:13](=[O:14])[c:15]3[cH:16][cH:17][c:18]([F:31])[c:19]([F:30])[c:20]3[NH:21][c:22]3[c:23]([F:29])[cH:24][c:25]([I:28])[cH:26][cH:27]3)[CH2:12]2)[N:33]=[N+:34]=[N-:35])[O:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 33558AzideHCID 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

Product 1

HCID 866212743-[1-Azido-2-(1,3-dioxolan-2-yl)ethyl]-1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)azetidin-3-ol

Sources & evidence

ORD record
ord-05c6e0460887454486107499fac8fa27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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