Bicarbonate Ion → 6-Methoxy-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid [1-(2-fluoro-4-methanesulfonylamino-5-methyl-phenyl)-ethyl]-amide

HRID 282346Notes

Reaction equation

HRID 282346 reaction equation
[CH3:17][O:18][c:19]1[cH:20][c:21]2[c:26]([cH:27][cH:28]1)[CH2:25][CH:24]([C:29](=[O:30])[OH:31])[CH2:23][CH2:22]2.[CH3:39][N+:40]([CH3:41])=[C:42]([N:43]([CH3:44])[CH3:45])[O:46][n:47]1[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1.[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[NH2:1][CH:2]([CH3:3])[c:4]1[cH:5][c:6]([CH3:16])[c:7]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:8][c:9]1[F:10].[Na+:69].[O-:65][C:66]([OH:67])=[O:68].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38]>>[NH:1]([CH:2]([CH3:3])[c:4]1[cH:5][c:6]([CH3:16])[c:7]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:8][c:9]1[F:10])[C:29]([CH:24]1[CH2:23][CH2:22][c:21]2[cH:20][c:19]([O:18][CH3:17])[cH:28][cH:27][c:26]2[CH2:25]1)=[O:30]

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 113562126-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic AcidHCID 58118636N-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamide

Product 1

HCID 581186166-Methoxy-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid [1-(2-fluoro-4-methanesulfonylamino-5-methyl-phenyl)-ethyl]-amide

Sources & evidence

ORD record
ord-76e74e34d49246458927ee391e9e1c1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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