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

HRID 89087Notes

Reaction equation

HRID 89087 reaction equation
[Br:44][CH2:45][CH2:46][CH2:47][O:48][CH3:49].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[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])[O:28][CH3:29])[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: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][CH2:26][O:28][CH3:29])[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

Participants

7

Reactant 6

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 5245511-Bromo-3-methoxypropaneHCID 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 684818893-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[5-(3-methoxypropylsulfanyl)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-1,2,4-thiadiazol-5-amine

Sources & evidence

ORD record
ord-8bf8fad0054840799c3a8dd8f4bb9f44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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