Hydrochloric Acid → 2-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2-phenylcyclopropanecarbonitrile

HRID 700620Notes

Reaction equation

HRID 700620 reaction equation
[CH2:39]=[CH:40][C:41]#[N:42].[ClH:38].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([C:17](=[N:18][NH:19][S:20]([c:21]4[cH:22][cH:23][c:24]([CH3:25])[cH:26][cH:27]4)(=[O:28])=[O:29])[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[Na+:37].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH-:36]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([C:17]4([c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[CH2:39][CH:40]4[C:41]#[N:42])[cH:14][cH:15][c:16]23)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 7855AcrylonitrileHCID 312751,4-DioxaneHCID 86640188HCID 86640188, compound

Product 1

HCID 592510952-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2-phenylcyclopropanecarbonitrile

Sources & evidence

ORD record
ord-6967d37db7e24bd58f22b3d94a1e69bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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