Imidazole → 3-[4-(azetidine-1-carbonyl)-2-fluorophenoxy]-5-(1-hydroxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide

HRID 1549771Notes

Reaction equation

HRID 1549771 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[C:47]([Si:48]([Cl:49])([CH3:50])[CH3:51])([CH3:52])([CH3:53])[CH3:54].[CH3:55][C:56]([N:57]([CH3:58])[CH3:59])=[O:60].[Cs+:5].[Cs+:6].[F:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[N:34]2[CH2:35][CH2:36][CH2:37]2)[cH:38][cH:39][c:40]1[F:41].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:66].[OH:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][c:14]2[n:15][n:16]([CH3:19])[cH:17][cH:18]2)[cH:20][c:21]([O:23][CH:24]([CH2:25][OH:26])[CH3:27])[cH:22]1.[nH:42]1[cH:43][cH:44][n:45][cH:46]1>>[O:7]([c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][c:14]2[n:15][n:16]([CH3:19])[cH:17][cH:18]2)[cH:20][c:21]([O:23][CH:24]([CH2:25][OH:26])[CH3:27])[cH:22]1)[c:40]1[c:29]([F:28])[cH:30][c:31]([C:32](=[O:33])[N:34]2[CH2:35][CH2:36][CH2:37]2)[cH:38][cH:39]1

Participants

10

Reactant 9

HCID 795ImidazoleHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 28928tert-Butyldimethylsilyl chlorideHCID 31374DimethylacetamideHCID 104967Cesium cation2×HCID 593468591-(3,4-Difluorobenzoyl)azetidineHCID 722605813-hydroxy-5-(1-hydroxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide

Product 1

HCID 691862013-[4-(azetidine-1-carbonyl)-2-fluorophenoxy]-5-(1-hydroxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide

Sources & evidence

ORD record
ord-5c6ad9983fe047a49eb545afc45757c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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