Acetic Acid → tert-butyl 2-(3-(5-(2-methoxyphenethoxy)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzylamino)ethyl(methyl)carbamate

HRID 101105Notes

Reaction equation

HRID 101105 reaction equation
[BH3:29].[C:46]([BH3-:47])#[N:48].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][O:2][c:3]1[c:4]([CH2:5][CH2:6][O:7][c:8]2[cH:9][c:10]([C:21]([F:22])([F:23])[F:24])[n:11][n:12]2-[c:13]2[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19][cH:20]2)[cH:25][cH:26][cH:27][cH:28]1.[CH3:30][N:31]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:39][CH:40]=[O:41].[CH3:42][C:43](=[O:44])[OH:45].[CH3:55][OH:56].[Na+:49]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][CH2:6][O:7][c:8]2[cH:9][c:10]([C:21]([F:22])([F:23])[F:24])[n:11][n:12]2-[c:13]2[cH:14][c:15]([CH2:16][NH:17][CH2:40][CH2:39][N:31]([CH3:30])[C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[cH:18][cH:19][cH:20]2)[cH:25][cH:26][cH:27][cH:28]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6331BoraneHCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 10725881tert-butyl N-methyl-N-(2-oxoethyl)carbamateHCID 693009123-(5-(2-methoxyphenethoxy)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzonitrile

Product 1

HCID 69094739tert-butyl 2-(3-(5-(2-methoxyphenethoxy)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzylamino)ethyl(methyl)carbamate

Sources & evidence

ORD record
ord-a9c5b0e4cd9242ba9517c8adae8697d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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