Ammonium → 5-amino-7'-(3,6-dihydro-2H-pyran-5-yl)-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol

HRID 137200Notes

Reaction equation

HRID 137200 reaction equation
[Cl-:54].[K+:6].[K+:7].[K+:8].[NH2:24][C:25]1=[N:26][C:27]2([CH2:28][O:29][CH2:30]1)[c:31]1[cH:32][c:33]([OH:46])[cH:34][cH:35][c:36]1[O:37][c:38]1[c:39]([F:45])[cH:40][c:41]([Br:44])[cH:42][c:43]12.[NH4+:55].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[O:9]1[CH2:10][C:11]([B:15]2[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]2)=[CH:12][CH2:13][CH2:14]1.[OH2:47].[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[O:9]1[CH2:10][C:11]([c:41]2[cH:40][c:39]([F:45])[c:38]3[c:43]([cH:42]2)[C:27]2([N:26]=[C:25]([NH2:24])[CH2:30][O:29][CH2:28]2)[c:31]2[cH:32][c:33]([OH:46])[cH:34][cH:35][c:36]2[O:37]3)=[CH:12][CH2:13][CH2:14]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 312751,4-DioxaneHCID 158366332-(5,6-dihydro-2H-pyran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 674376595-Amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol

Product 1

HCID 674383685-amino-7'-(3,6-dihydro-2H-pyran-5-yl)-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol

Sources & evidence

ORD record
ord-8c2de2bf377d415190105e8bc45ed03f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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