Methanol → 2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-butyn-2-ol

HRID 1236267Notes

Reaction equation

HRID 1236267 reaction equation
[BH4-:32].[CH3:29][OH:30].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:28]1)[C:7]([C:19]([F:20])([F:21])[F:22])([C:23]#[C:24][CH:25]1[CH2:26][CH2:27]1)[O:8][CH:9]([c:11]1[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18]1)[NH:10]2.[Na+:33].[Na+:35].[OH-:34].[OH2:31]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH2:10])[c:6]([C:7]([OH:8])([C:19]([F:20])([F:21])[F:22])[C:23]#[C:24][CH:25]2[CH2:26][CH2:27]2)[cH:28]1

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 28123BorohydrideHCID 187514536-Chloro-4-(2-cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine

Product 1

HCID 98389352-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-butyn-2-ol

Sources & evidence

ORD record
ord-8c3396bdaf474b4c9bc899cd0bbd1416
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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