1-(Bromomethyl)-3-(trifluoromethyl)benzene → 4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-{4-[3-(trifluoromethyl)benzyl]benzyl}benzamide

HRID 211240

Reaction equation

HRID 211240 reaction equation
[Br:40][CH2:41][c:42]1[cH:43][c:44]([C:48]([F:49])([F:50])[F:51])[cH:45][cH:46][cH:47]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:37]([CH3:38])[CH3:39])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][c:19]4[cH:20][cH:21][c:22]([B:25]5[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]5)[cH:23][cH:24]4)[cH:34][cH:35]3)[o:10]2)[cH:36]1.[C:52]([B:53]([OH:54])[OH:55])([CH3:56])=[CH2:57]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:37]([CH3:38])[CH3:39])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][c:19]4[cH:20][cH:21][c:22]([CH2:41][c:42]5[cH:43][c:44]([C:48]([F:49])([F:50])[F:51])[cH:45][cH:46][cH:47]5)[cH:23][cH:24]4)[cH:34][cH:35]3)[o:10]2)[cH:36]1

Participants

4

Reactant 3

HCID 1230611-(Bromomethyl)-3-(trifluoromethyl)benzeneHCID 10855372(Prop-1-en-2-yl)boronic acidHCID 251536354-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]benzamide

Product 1

HCID 251525824-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-{4-[3-(trifluoromethyl)benzyl]benzyl}benzamide

Sources & evidence

ORD record
ord-1fa184f683044f26bc49b5a9bbfdc190
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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