Potassium Cation → 4-(1,3-Oxazol-2-yl)aniline

HRID 202925Notes

Reaction equation

HRID 202925 reaction equation
[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[K+:18].[K+:19].[N+:1]([c:2]1[cH:3][cH:4][c:5]([C:6]([Cl:7])=[O:8])[cH:9][cH:10]1)([O-:11])=[O:12].[NH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Na+:51].[Na+:52].[O-:20][C:21]([O-:22])=[O:23].[OH2:65].[S:45]([S:46]([O-:47])=[O:48])([O-:49])=[O:50].[S:53]1(=[O:58])(=[O:59])[CH2:54][CH2:55][CH2:56][CH2:57]1.[nH:13]1[cH:14][cH:15][n:16][n:17]1.[o:24]1[c:25](-[c:29]2[cH:30][cH:31][c:32]([N+:35]([O-:36])=[O:37])[cH:33][cH:34]2)[n:26][cH:27][cH:28]1>>[o:24]1[c:25](-[c:29]2[cH:30][cH:31][c:32]([NH2:35])[cH:33][cH:34]2)[n:26][cH:27][cH:28]1

Participants

12

Reactant 11

HCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 962WaterHCID 1086DithioniteHCID 6115AnilineHCID 8028TetrahydrofuranHCID 85024-Nitrobenzoyl chlorideHCID 19660Carbonate IonHCID 31347SulfolaneHCID 109762762-(4-Nitrophenyl)oxazoleHCID 178418936HCID 178418936, compound

Product 1

HCID 123717394-(1,3-Oxazol-2-yl)aniline

Sources & evidence

ORD record
ord-ab67752cee204e3eb7b7f56ec2af3db1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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