Methanol → 2-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine

HRID 1216415Notes

Reaction equation

HRID 1216415 reaction equation
[CH3:1][c:2]1[n:3][o:4][c:5](-[c:7]2[cH:8][cH:9][c:10](-[n:13]3[n:14][c:15]4[c:21]([cH:22]3)[CH2:20][CH2:19][N:18]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:17][CH2:16]4)[cH:11][cH:12]2)[n:6]1.[CH3:40][OH:41].[Cl:37][CH2:38][Cl:39].[OH:30][C:31]([C:32]([F:33])([F:34])[F:35])=[O:36]>>[CH3:1][c:2]1[n:3][o:4][c:5](-[c:7]2[cH:8][cH:9][c:10](-[n:13]3[n:14][c:15]4[c:21]([cH:22]3)[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]4)[cH:11][cH:12]2)[n:6]1

Participants

5

Reactant 4

HCID 887MethanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 669308431,1-Dimethylethyl 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate

Product 1

HCID 669307922-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine

Sources & evidence

ORD record
ord-8607d7b4a79642479a7b357baf16bc39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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