Potassium Cation → 5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-(2-hydroxyethyl)-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]amino}thiophene-3-carboxamide

HRID 157527Notes

Reaction equation

HRID 157527 reaction equation
[C:42]([OH:43])([CH2:44][CH3:45])([CH3:46])[CH3:47].[Cl:22][c:23]1[cH:24][cH:25][c:26]2[c:27]([n:28]1)[CH2:29][N:30]([CH2:33][CH2:34][OH:35])[C:31]2=[O:32].[K+:36].[K+:37].[NH2:1][c:2]1[s:3][c:4](-[c:10]2[c:11]([F:21])[cH:12][c:13]([C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][c:15]2[F:16])[cH:5][c:6]1[C:7](=[O:8])[NH2:9].[O-:38][C:39]([O-:40])=[O:41].[O:50]=[C:51]([CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:48].[Pd:49]>>[NH:1]([c:2]1[s:3][c:4](-[c:10]2[c:11]([F:21])[cH:12][c:13]([C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][c:15]2[F:16])[cH:5][c:6]1[C:7](=[O:8])[NH2:9])[c:23]1[cH:24][cH:25][c:26]2[c:27]([n:28]1)[CH2:29][N:30]([CH2:33][CH2:34][OH:35])[C:31]2=[O:32]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 64052-Methyl-2-butanolHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 582166462-Chloro-6-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-oneHCID 595256192-Amino-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]thiophene-3-carboxamide

Product 1

HCID 445541085-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-(2-hydroxyethyl)-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl]amino}thiophene-3-carboxamide

Sources & evidence

ORD record
ord-994b3313b6ec4f4b99f7355b11b092bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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