1,2-Dichloroethane → 4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methylamino-N-(2,2,2-trifluoroethyl) benzoic acid amide

HRID 175986

Reaction equation

HRID 175986 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH2:33]=[O:34].[Cl:50][CH2:51][CH2:52][Cl:53].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]([F:9])([F:10])[F:11])[cH:12][cH:13][c:14]([C:16]2=[N:17][O:18][C:19]([C:21]([F:22])([F:23])[F:24])([c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[CH2:20]2)[cH:15]1.[Na+:48].[OH2:49]>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]([F:9])([F:10])[F:11])[cH:12][cH:13][c:14]([C:16]2=[N:17][O:18][C:19]([C:21]([F:22])([F:23])[F:24])([c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[CH2:20]2)[cH:15]1)[CH3:35]

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 712FormaldehydeHCID 923Sodium ionHCID 962WaterHCID 2724942TriacetoxyborohydrideHCID 866114682-amino-4-[5-(3,5-dichlorophenyl)-5-trifiuoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifiuoroethyl) benzoic acid amide

Product 1

HCID 866114744-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methylamino-N-(2,2,2-trifluoroethyl) benzoic acid amide

Sources & evidence

ORD record
ord-eb5eaefcba0c47868922b64c6314117f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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