Potassium Cation → tert-butyl 7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-6-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate

HRID 1130215Notes

Reaction equation

HRID 1130215 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:59][OH:60].[Cl:1][c:2]1[n:3][c:4]([NH2:15])[n:5][c:6]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:7]1.[Cl:43][CH2:44][Cl:45].[F:16][c:17]1[cH:18][c:19]2[c:24]([cH:25][c:26]1[B:27]1[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]1)[CH2:23][N:22]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:21][CH2:20]2.[K+:50].[K+:51].[OH2:58]>>[c:2]1(-[c:26]2[c:17]([F:16])[cH:18][c:19]3[c:24]([cH:25]2)[CH2:23][N:22]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:21][CH2:20]3)[n:3][c:4]([NH2:15])[n:5][c:6]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 14845194-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amineHCID 59496690tert-butyl 6-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

Product 1

HCID 59496598tert-butyl 7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-6-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate

Sources & evidence

ORD record
ord-fff1f8cf434a49ca9ad4fcd342394887
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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