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

HRID 2333066Notes

Reaction equation

HRID 2333066 reaction equation
[ClH:51].[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH:6]1[O:7][CH:8]1[CH2:9][CH:10]([CH2:12][O:13][C:14](=[O:15])[C:16]23[CH2:17][c:18]4[c:19]([n:41](-[c:44]5[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]5)[n:42][cH:43]4)[CH:20]=[C:21]2[CH2:22][CH2:23][N:24]([S:26](=[O:27])(=[O:28])[c:29]2[cH:30][n:31][c:32]([N:35]4[CH2:36][CH2:37][O:38][CH2:39][CH2:40]4)[cH:33][cH:34]2)[CH2:25]3)[CH2:11]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1>>[OH:7][CH:8]1[CH2:9][CH:10]([CH2:12][O:13][C:14](=[O:15])[C:16]23[CH2:17][c:18]4[c:19]([n:41](-[c:44]5[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]5)[n:42][cH:43]4)[CH:20]=[C:21]2[CH2:22][CH2:23][N:24]([S:26](=[O:27])(=[O:28])[c:29]2[cH:30][n:31][c:32]([N:35]4[CH2:36][CH2:37][O:38][CH2:39][CH2:40]4)[cH:33][cH:34]2)[CH2:25]3)[CH2:11]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 312751,4-DioxaneHCID 178525213HCID 178525213, compound

Product 1

HCID 178525211(3-hydroxycyclobutyl)methyl 1-(4-fluorophenyl)-6-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-4a-carboxylate

Sources & evidence

ORD record
ord-ad2ebcb8990342aaad9aa1321233fe66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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