Bicarbonate Ion → 4,4,4-trifluoro-3-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylamino)-N-phenylbutanamide

HRID 1203826Notes

Reaction equation

HRID 1203826 reaction equation
[C:74](=[O:75])([OH:76])[O-:77].[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[F:1][C:2]([CH:3]([CH2:4][C:5](=[O:6])[OH:7])[NH:8][c:9]1[cH:10][c:11]([F:31])[c:12]([O:15][c:16]2[c:17]3[c:18]([n:19][cH:20][cH:21]2)[cH:22][c:23](-[c:25]2[n:26][cH:27][n:28]([CH3:30])[cH:29]2)[s:24]3)[cH:13][cH:14]1)([F:32])[F:33].[NH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Na+:78].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[F:1][C:2]([CH:3]([CH2:4][C:5](=[O:7])[NH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[NH:8][c:9]1[cH:10][c:11]([F:31])[c:12]([O:15][c:16]2[c:17]3[c:18]([n:19][cH:20][cH:21]2)[cH:22][c:23](-[c:25]2[n:26][cH:27][n:28]([CH3:30])[cH:29]2)[s:24]3)[cH:13][cH:14]1)([F:32])[F:33]

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6115AnilineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 587904194,4,4-Trifluoro-3-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylamino)butanoic acid

Product 1

HCID 250545994,4,4-trifluoro-3-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylamino)-N-phenylbutanamide

Sources & evidence

ORD record
ord-d5a1ce18bc0f470aa290552aaa02bc23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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