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

HRID 207851Notes

Reaction equation

HRID 207851 reaction equation
[Br:1][c:2]1[cH:3][c:4]([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:5][n:6][cH:7]1.[ClH:34].[F:35][CH:36]1[CH2:37][NH:38][CH2:39][CH2:40]1>>[c:2]1([N:38]2[CH2:37][CH:36]([F:35])[CH2:40][CH2:39]2)[cH:3][c:4]([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:5][n:6][cH:7]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 3744989Pyrrolidine, 3-fluoro-HCID 667796716-[(5-Bromo-3-pyridinyl)sulfonyl]-1-(4-fluorophenyl)-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline

Product 1

HCID 667801271-(4-Fluorophenyl)-6-[[5-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline

Sources & evidence

ORD record
ord-0ab7a3dc22df42d0aab52755f0d47a9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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