Bicarbonate Ion → t-Butyl N-[2-amino-5-(4-trifluoromethylphenoxy)phenyl]-N-methylcarbamate

HRID 696429Notes

Reaction equation

HRID 696429 reaction equation
[C:1](=[O:2])([OH:3])[O-:4].[CH3:14][N:15]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[c:23]1[c:24]([N+:40]([O-:41])=[O:42])[cH:25][cH:26][c:27]([O:29][c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[cH:28]1.[Na+:12].[Na+:13].[Na+:5].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:49].[S:6]([S:7]([O-:8])=[O:9])([O-:10])=[O:11]>>[CH3:14][N:15]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[c:23]1[c:24]([NH2:40])[cH:25][cH:26][c:27]([O:29][c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[cH:28]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 962WaterHCID 1086DithioniteHCID 312751,4-DioxaneHCID 18461356t-Butyl N-methyl-N-[2-nitro-5-(4-trifluoromethylphenoxy)phenyl]carbamate

Product 1

HCID 18461430t-Butyl N-[2-amino-5-(4-trifluoromethylphenoxy)phenyl]-N-methylcarbamate

Sources & evidence

ORD record
ord-6b78274cd7f7444d8306f1568a6e2fac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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