Tetrahydrofuran → 1-(4-(2-(5-(3-Hydroxypropylthio)-3-phenoxypyridin-2-ylamino)thiazol-4-yl)piperidin-1-yl)ethanone

HRID 101126Notes

Reaction equation

HRID 101126 reaction equation
[Al+3:37].[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([c:10]2[n:11][c:12]([NH:15][c:16]3[c:17]([O:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:18][c:19]([S:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:20][n:21]3)[s:13][cH:14]2)[CH2:8][CH2:9]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[H-:36].[H-:39].[H-:40].[H-:41].[Li+:38]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([c:10]2[n:11][c:12]([NH:15][c:16]3[c:17]([O:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:18][c:19]([S:22][CH2:23][CH2:24][CH2:25][OH:26])[cH:20][n:21]3)[s:13][cH:14]2)[CH2:8][CH2:9]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 86631532Methyl 3-(6-(4-(1-acetylpiperidin-4-yl)thiazol-2-ylamino)-5-phenoxypyridin-3-ylthio)propanoate

Product 1

HCID 592916191-(4-(2-(5-(3-Hydroxypropylthio)-3-phenoxypyridin-2-ylamino)thiazol-4-yl)piperidin-1-yl)ethanone

Sources & evidence

ORD record
ord-c650f31d47404d65965d7b01187dcbfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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