Dichloromethane → 4-{3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenylamino}-benzoic acid methyl ester

HRID 187945Notes

Reaction equation

HRID 187945 reaction equation
[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1.[Cl:44][CH2:45][Cl:46].[NH2:21][c:22]1[cH:23][c:24]([Cl:43])[c:25]([CH:28]([C:29]([C:30]([F:31])([F:32])[F:33])([OH:34])[c:35]2[cH:36][c:37]([Cl:41])[n:38][cH:39][cH:40]2)[CH3:42])[cH:26][cH:27]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:21][c:22]2[cH:23][c:24]([Cl:43])[c:25]([CH:28]([C:29]([C:30]([F:31])([F:32])[F:33])([OH:34])[c:35]3[cH:36][c:37]([Cl:41])[n:38][cH:39][cH:40]3)[CH3:42])[cH:26][cH:27]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 27343694-Methoxycarbonylphenylboronic acidHCID 866291093-(4-Amino-2-chloro-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-ol

Product 1

HCID 866459524-{3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenylamino}-benzoic acid methyl ester

Sources & evidence

ORD record
ord-0546317ba1124737ab9dc4fa091e10f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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