2-Aminothiazole → 4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-N-(thiazol-2-yl)-benzamide

HRID 2160686Notes

Reaction equation

HRID 2160686 reaction equation
[CH3:1][c:2]1[c:3]([B:11]2[O:12][C:13]([CH3:18])([CH3:19])[C:14]([CH3:16])([CH3:17])[O:15]2)[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[NH2:53][c:54]1[s:55][cH:56][cH:57][n:58]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][c:2]1[c:3]([B:11]2[O:12][C:13]([CH3:18])([CH3:19])[C:14]([CH3:16])([CH3:17])[O:15]2)[cH:4][c:5]([C:6](=[O:7])[NH:53][c:54]2[s:55][cH:56][cH:57][n:58]2)[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 21552-AminothiazoleHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 160860864-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Product 1

HCID 219145174-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-N-(thiazol-2-yl)-benzamide

Sources & evidence

ORD record
ord-7feef345d47f4777817a901cccdadbed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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