Potassium Cation → N-[5-(cyclopropylmethylsulfanyl)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-amine

HRID 317960Notes

Reaction equation

HRID 317960 reaction equation
[Br:44][CH2:45][CH:46]1[CH2:47][CH2:48]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:38][C:39]([O-:40])([CH3:41])[CH3:42].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[K+:43].[O:1]1[CH:2]([c:11]2[n:12][s:13][c:14]([NH:16][c:17]3[c:18]([O:30][c:31]4[c:32]([CH3:37])[n:33][cH:34][cH:35][cH:36]4)[cH:19][c:20]([S:23][CH2:24][CH2:25][C:26]([O:27][CH3:28])=[O:29])[cH:21][n:22]3)[n:15]2)[CH2:3][O:4][C:5]12[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]2.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[O:1]1[CH:2]([c:11]2[n:12][s:13][c:14]([NH:16][c:17]3[c:18]([O:30][c:31]4[c:32]([CH3:37])[n:33][cH:34][cH:35][cH:36]4)[cH:19][c:20]([S:23][CH2:24][CH:25]4[CH2:26][CH2:38]4)[cH:21][n:22]3)[n:15]2)[CH2:3][O:4][C:5]12[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]2

Participants

8

Reactant 7

HCID 813Potassium CationHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 81503BromomethylcyclopropaneHCID 45749132-Methylpropan-2-olateHCID 67487939Methyl 3-[[6-[[3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-yl]amino]-5-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]sulfanyl]propanoate

Product 1

HCID 68481827N-[5-(cyclopropylmethylsulfanyl)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-(1,4-dioxaspiro[4.5]decan-3-yl)-1,2,4-thiadiazol-5-amine

Sources & evidence

ORD record
ord-01aacef02643436ea1848af94f802e0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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