Sodium ion → N-[3-[2-amino-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide

HRID 177926Notes

Reaction equation

HRID 177926 reaction equation
[CH2:48]([OH:49])[CH2:50][CH3:51].[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]([C:9](=[O:10])[OH:11])[n:7][cH:8]1.[CH3:40][N:41]1[CH2:42][CH2:43][N:44]([CH3:45])[C:46]1=[O:47].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[NH2:16][c:17]1[cH:18][cH:19][c:20]([F:37])[c:21]([C:23]23[N:24]=[C:25]([NH2:36])[S:26][CH2:27][CH:28]2[CH:29]([C:32]([F:33])([F:34])[F:35])[O:30][CH2:31]3)[cH:22]1.[Na+:39].[OH-:38].[OH2:58].[S:12]([Cl:13])([Cl:14])=[O:15]>>[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]([C:9](=[O:11])[NH:16][c:17]2[cH:18][cH:19][c:20]([F:37])[c:21]([C:23]34[N:24]=[C:25]([NH2:36])[S:26][CH2:27][CH:28]3[CH:29]([C:32]([F:33])([F:34])[F:35])[O:30][CH2:31]4)[cH:22]2)[n:7][cH:8]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 10311-PropanolHCID 66611,3-Dimethyl-2-imidazolidinoneHCID 8857Ethyl AcetateHCID 24386Thionyl ChlorideHCID 457898115-Methoxy-2-pyrazinecarboxylic acidHCID 726717137a-(5-Amino-2-fluorophenyl)-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine

Product 1

HCID 76555327N-[3-[2-amino-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide

Sources & evidence

ORD record
ord-90c6636231ff48448ba01cdfea02a7bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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