1,2-Dichloroethane → N-[2-chloro-4-(3-methylsulfanylpropylamino)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

HRID 105702

Reaction equation

HRID 105702 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:39](=[O:40])([O-:41])[OH:42].[CH3:15][S:16][CH2:17][CH2:18][CH:19]=[O:20].[Cl:21][c:22]1[c:23]([NH:29][C:30]([C:31]([C:32]([F:33])([F:34])[F:35])([CH3:36])[OH:37])=[O:38])[cH:24][cH:25][c:26]([NH2:28])[cH:27]1.[Cl:44][CH2:45][CH2:46][Cl:47].[Na+:14].[Na+:43]>>[CH3:15][S:16][CH2:17][CH2:18][CH2:19][NH:28][c:26]1[cH:25][cH:24][c:23]([NH:29][C:30]([C:31]([C:32]([F:33])([F:34])[F:35])([CH3:36])[OH:37])=[O:38])[c:22]([Cl:21])[cH:27]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 18635MethionalHCID 2724942TriacetoxyborohydrideHCID 22287262N-(4-amino-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

Product 1

HCID 22287385N-[2-chloro-4-(3-methylsulfanylpropylamino)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

Sources & evidence

ORD record
ord-0660060f6d3c4b658a483bbdd1b062e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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