Sodium ion → 1-[5-(3-Chloro-5-nitrophenyl)-1,3-thiazol-2-yl]cyclobutanol

HRID 207378Notes

Reaction equation

HRID 207378 reaction equation
[Br:28][c:29]1[cH:30][n:31][c:32]([C:34]2([OH:38])[CH2:35][CH2:36][CH2:37]2)[s:33]1.[CH3:20][C:21]([OH:22])([C:23]([CH3:24])([OH:25])[CH3:26])[CH3:27].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:1][c:2]1[cH:3][c:4]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:56]>>[Cl:1][c:2]1[cH:3][c:4](-[c:29]2[cH:30][n:31][c:32]([C:34]3([OH:38])[CH2:35][CH2:36][CH2:37]3)[s:33]2)[cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 6425PinacolHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 58456224HCID 58456224, compoundHCID 674337382-(3-Chloro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product 1

HCID 674321141-[5-(3-Chloro-5-nitrophenyl)-1,3-thiazol-2-yl]cyclobutanol

Sources & evidence

ORD record
ord-deb4a861fc4142ce83ae3cb08e920b19
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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