Potassium Cation → HCID 178429752, compound

HRID 148591Notes

Reaction equation

HRID 148591 reaction equation
[Br:30][c:31]1[cH:32][c:33]2[c:34]([CH2:54][N:55]3[CH:56]([CH3:68])[CH2:57][N:58]([C:61](=[O:62])[O:63][C:64]([CH3:65])([CH3:66])[CH3:67])[CH2:59][CH2:60]3)[cH:35][n:36]([CH2:42][C:43]([CH2:44][O:45][C:46]([C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])([CH3:52])[CH3:53])[c:37](=[O:41])[c:38]2[cH:39][cH:40]1.[C:24](=[O:25])([O-:26])[O-:27].[CH3:69][C:70]#[N:71].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:22])[c:9]([CH3:21])[c:10]([B:12]3[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]3)[cH:11]2)=[O:23])[CH2:2][CH2:3]1.[K+:28].[K+:29].[OH2:72]>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:22])[c:9]([CH3:21])[c:10](-[c:31]3[cH:32][c:33]4[c:34]([CH2:54][N:55]5[CH:56]([CH3:68])[CH2:57][N:58]([C:61](=[O:62])[O:63][C:64]([CH3:65])([CH3:66])[CH3:67])[CH2:59][CH2:60]5)[cH:35][n:36]([CH2:42][C:43]([CH2:44][O:45][C:46]([C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])([CH3:52])[CH3:53])[c:37](=[O:41])[c:38]4[cH:39][cH:40]3)[cH:11]2)=[O:23])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 21914563N-cyclopropyl-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 68590084Tert-butyl 4-[[6-bromo-2-[3-(2,2-dimethylpropanoyloxy)-2,2-dimethylpropyl]-1-oxoisoquinolin-4-yl]methyl]-3-methylpiperazine-1-carboxylate

Product 1

HCID 178429752HCID 178429752, compound

Sources & evidence

ORD record
ord-8bc544e977aa4bb6a2ee3f94e42de346
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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