Potassium Cation → 4-[3-methyl-7-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydroisoquinolin-2(1H)-yl]-6-(4-methylpiperazin-1-yl) pyrimidin-2-amine

HRID 2349154Notes

Reaction equation

HRID 2349154 reaction equation
[Br:35][c:36]1[n:37][c:38]([CH3:41])[s:39][cH:40]1.[C:42](=[O:43])([O-:44])[O-:45].[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH2:34])[n:11][c:12]([N:14]3[CH2:15][c:16]4[cH:17][c:18]([B:25]5[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1.[Cl:48][CH2:49][Cl:50].[K+:46].[K+:47].[OH2:57]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH2:34])[n:11][c:12]([N:14]3[CH2:15][c:16]4[cH:17][c:18](-[c:36]5[n:37][c:38]([CH3:41])[s:39][cH:40]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27631864-Bromo-2-methyl-1,3-thiazoleHCID 594022564-(4-methylpiperazin-1-yl)-6-[3-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl]pyrimidin-2-amine

Product 1

HCID 467019184-[3-methyl-7-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydroisoquinolin-2(1H)-yl]-6-(4-methylpiperazin-1-yl) pyrimidin-2-amine

Sources & evidence

ORD record
ord-f53b5921967144c5893d1943f23bce5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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