Hydrochloric Acid → Methyl 1-(4-fluorophenyl)-6-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-4a-carboxylate

HRID 125896

반응식

[CH3:1][O:2][C:3](=[O:4])[C:5]12[CH2:6][c:7]3[c:8]([n:25](-[c:28]4[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]4)[n:26][cH:27]3)[CH:9]=[C:10]1[CH2:11][CH2:12][N:13]([S:15](=[O:16])(=[O:17])[c:18]1[cH:19][n:20][c:21]([Cl:24])[cH:22][cH:23]1)[CH2:14]2.[ClH:35].[F:36][CH:37]1[CH2:38][NH:39][CH2:40][CH2:41]1>>[CH3:1][O:2][C:3](=[O:4])[C:5]12[CH2:6][c:7]3[c:8]([n:25](-[c:28]4[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]4)[n:26][cH:27]3)[CH:9]=[C:10]1[CH2:11][CH2:12][N:13]([S:15](=[O:16])(=[O:17])[c:18]1[cH:19][n:20][c:21]([N:39]3[CH2:38][CH:37]([F:36])[CH2:41][CH2:40]3)[cH:22][cH:23]1)[CH2:14]2

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 3744989Pyrrolidine, 3-fluoro-

HCID 88868046Methyl 6-[(6-chloro-3-pyridinyl)sulfonyl]-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-4a-carboxylate

생성물 1

HCID 66779873Methyl 1-(4-fluorophenyl)-6-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-4a-carboxylate

출처 및 근거

ORD 기록: ord-39983abda40c4d5e942b332a1a397b0f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

불러오는 중…