Carbonate Ion → 3-Fluoro-5-(1,3-thiazol-5-yl)aniline

HRID 1146472Notes

Reaction equation

HRID 1146472 reaction equation
[Br:18][c:19]1[s:20][cH:21][n:22][cH:23]1.[C:24](=[O:25])([O-:26])[O-:27].[Cs+:28].[Cs+:29].[F:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7]([B:9]2[O:10][C:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[O:17]2)[cH:8]1.[O:32]=[C:33]([CH:34]=[CH:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[O:50]=[C:51]([CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Pd:30].[Pd:31]>>[F:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7](-[c:19]2[s:20][cH:21][n:22][cH:23]2)[cH:8]1

Participants

7

Reactant 6

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 5460595-BromothiazoleHCID 597700393-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Product 1

HCID 672565063-Fluoro-5-(1,3-thiazol-5-yl)aniline

Sources & evidence

ORD record
ord-030c3054c235417a9ea693aff35ad5eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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