Piperazine → 1-(4-Fluorophenyl)-4a-(methoxymethyl)-6-[(6-piperazin-1-yl-3-pyridinyl)sulfonyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline

반응식

[CH2:34]1[CH2:35][NH:36][CH2:37][CH2:38][NH:39]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][C:13]3([CH2:31][O:32][CH3:33])[CH2:14][c:15]4[c:16]([n:21](-[c:24]5[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]5)[n:22][cH:23]4)[CH:17]=[C:18]3[CH2:19][CH2:20]2)[cH:6][n:7]1>>[c:2]1([N:36]2[CH2:35][CH2:34][NH:39][CH2:38][CH2:37]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][C:13]3([CH2:31][O:32][CH3:33])[CH2:14][c:15]4[c:16]([n:21](-[c:24]5[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]5)[n:22][cH:23]4)[CH:17]=[C:18]3[CH2:19][CH2:20]2)[cH:6][n:7]1

참가 물질

반응물 2

HCID 4837Piperazine

HCID 871484366-[(6-Chloro-3-pyridinyl)sulfonyl]-1-(4-fluorophenyl)-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline

생성물 1

HCID 667798641-(4-Fluorophenyl)-4a-(methoxymethyl)-6-[(6-piperazin-1-yl-3-pyridinyl)sulfonyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline

출처 및 근거

ORD 기록: ord-1c338e89f18548e5a3f5705b694f449f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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