Acetic Acid → 3-(2-Methyl-4-{[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-amino}-phenyl)-propionic acid methyl ester

HRID 701874Notes

Reaction equation

HRID 701874 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:15][c:16]1[n:17][c:18](-[c:23]2[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]2)[s:19][c:20]1[CH:21]=[O:22].[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:13])[cH:8][c:9]([NH2:12])[cH:10][cH:11]1)=[O:14].[CH3:33][C:34](=[O:35])[OH:36].[Cl:51][CH2:52][Cl:53].[Na+:50]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:13])[cH:8][c:9]([NH:12][CH2:21][c:20]2[c:16]([CH3:15])[n:17][c:18](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[s:19]2)[cH:10][cH:11]1)=[O:14]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 27828994-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehydeHCID 54187007Methyl 3-(4-amino-2-methylphenyl)propanoate

Product 1

HCID 694694953-(2-Methyl-4-{[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-amino}-phenyl)-propionic acid methyl ester

Sources & evidence

ORD record
ord-39fac529e02c4b70b2e03542a4c841b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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