Potassium Cation → 4-[3-[4-[Bis(4-fluorophenyl)methyl]-piperazin-1-yl]-2-hydroxy-propoxy]-1-(tetrahydropyran-2-yl)pyrazolo[3,4-d]pyrimidine

HRID 2346065노트

반응식

HRID 2346065 반응식
[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[Cl:27][c:28]1[c:29]2[c:30]([n:31][cH:32][n:33]1)[n:34]([CH:37]1[O:38][CH2:39][CH2:40][CH2:41][CH2:42]1)[n:35][cH:36]2.[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH:16]([CH2:17][OH:18])[OH:19])[CH2:13][CH2:14]2)[c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[cH:6][cH:7]1.[K+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50][O:51][CH2:52][CH2:53][O:54][CH2:55][CH2:56][O:57][CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[OH-:43]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH:16]([CH2:17][O:18][c:28]3[c:29]4[c:30]([n:31][cH:32][n:33]3)[n:34]([CH:37]3[O:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[n:35][cH:36]4)[OH:19])[CH2:13][CH2:14]2)[c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[cH:6][cH:7]1

참가 물질

7

반응물 6

HCID 813Potassium CationHCID 961HydroxideHCID 1140TolueneHCID 2855718-Crown-6HCID 2394984-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidineHCID 104063373-[4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl]-1,2-propanediol

생성물 1

HCID 156708664-[3-[4-[Bis(4-fluorophenyl)methyl]-piperazin-1-yl]-2-hydroxy-propoxy]-1-(tetrahydropyran-2-yl)pyrazolo[3,4-d]pyrimidine

출처 및 근거

ORD 기록
ord-245cf934a3db4389b5ea1b8b0293fc0a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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