Methanol → 7'-Bromo-4'-fluoro-2'-methoxy-5,6-dihydrospiro[[1,3]oxazine-4,9'-xanthen]-2-amine

Reaction equation

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:31]([cH:32]1)[C:13]1([c:12]3[c:7]([c:8]([F:35])[cH:9][c:10]([O:33][CH3:34])[cH:11]3)[O:6]2)[N:14]=[C:15]([NH:19][C:20](=[O:21])[c:22]2[cH:23][cH:24][c:25]([N+:26]([O-:27])=[O:28])[cH:29][cH:30]2)[O:16][CH2:17][CH2:18]1.[CH3:38][OH:39].[Na+:37].[OH-:36]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:31]([cH:32]1)[C:13]1([c:12]3[c:7]([c:8]([F:35])[cH:9][c:10]([O:33][CH3:34])[cH:11]3)[O:6]2)[N:14]=[C:15]([NH2:19])[O:16][CH2:17][CH2:18]1

Participants

Reactant 4

HCID 887Methanol

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 67439840N-(7'-bromo-4'-fluoro-2'-methoxy-5,6-dihydrospiro[[1,3]oxazine-4,9'-xanthene]-2-yl)-4-nitrobenzamide

Product 1

HCID 584659317'-Bromo-4'-fluoro-2'-methoxy-5,6-dihydrospiro[[1,3]oxazine-4,9'-xanthen]-2-amine

Sources & evidence

ORD record: ord-9fe5b47ad21a462a9f877d947e02cbdb
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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