Potassium Cation → Tert-butyl 4-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxoisoquinolin-4-yl]methyl]-3-methylpiperazine-1-carboxylate

HRID 1572539Notes

Reaction equation

HRID 1572539 reaction equation
[C:53](=[O:54])([O-:55])[O-:56].[CH3:59][OH:60].[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][c:9]([F:52])[c:10]([CH3:51])[c:11](-[c:13]3[cH:14][c:15]4[c:16]([CH2:36][N:37]5[CH:38]([CH3:50])[CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]5)[cH:17][n:18]([CH2:24][C:25]([CH2:26][O:27][C:28](=[O:29])[C:30]([CH3:31])([CH3:32])[CH3:33])([CH3:34])[CH3:35])[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[cH:12]2)[CH2:2][CH2:3]1.[K+:57].[K+:58].[OH2:61]>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][c:9]([F:52])[c:10]([CH3:51])[c:11](-[c:13]3[cH:14][c:15]4[c:16]([CH2:36][N:37]5[CH:38]([CH3:50])[CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]5)[cH:17][n:18]([CH2:24][C:25]([CH2:26][OH:27])([CH3:34])[CH3:35])[c:19](=[O:23])[c:20]4[cH:21][cH:22]3)[cH:12]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 178429752HCID 178429752, compound

Product 1

HCID 67391570Tert-butyl 4-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxoisoquinolin-4-yl]methyl]-3-methylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-006ea971338d4030bdee9f8238043d12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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