Sodium ion → 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-[1-(benzenesulfonyl)-6-bromoindazol-4-yl]-1,3,4-oxadiazole

HRID 173142Notes

Reaction equation

HRID 173142 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][Cl:26])[n:23][n:24]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1.[CH3:47][C:48]#[N:49].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:50][CH2:51][Cl:52].[I-:28].[N:29]12[CH2:30][CH2:31][NH:32][CH2:33][CH:34]1[CH2:35][CH2:36][CH2:37]2.[Na+:27]>>[Br:1][c:2]1[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][N:32]3[CH2:31][CH2:30][N:29]4[CH:34]([CH2:33]3)[CH2:35][CH2:36][CH2:37]4)[n:23][n:24]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 558578Octahydropyrrolo(1,2-a)pyrazineHCID 666956686-bromo-4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-1-(phenylsulfonyl)-1H-indazole

Product 1

HCID 1785273202-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-[1-(benzenesulfonyl)-6-bromoindazol-4-yl]-1,3,4-oxadiazole

Sources & evidence

ORD record
ord-1d09926129a547208dc2c9d187a039a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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