Acetate → 6-Methyl-2-[2-(trifluoromethyl)[1,1'-biphenyl]-4-yl]-1,3-benzothiazole

HRID 108065Notes

Reaction equation

HRID 108065 reaction equation
[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[Cl:1][c:2]1[c:3]([C:18]([F:19])([F:20])[F:21])[cH:4][c:5](-[c:8]2[s:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][c:15]([CH3:17])[cH:16]3)[cH:6][cH:7]1.[F-:31].[K+:32].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[OH:22][B:23]([OH:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[Pd+2:58]>>[c:2]1(-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:3]([C:18]([F:19])([F:20])[F:21])[cH:4][c:5](-[c:8]2[s:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][c:15]([CH3:17])[cH:16]3)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 28179Fluoride IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 684514032-[4-Chloro-3-(trifluoromethyl)phenyl]-6-methyl-1,3-benzothiazole

Product 1

HCID 684537996-Methyl-2-[2-(trifluoromethyl)[1,1'-biphenyl]-4-yl]-1,3-benzothiazole

Sources & evidence

ORD record
ord-815abff374b640988c31d0404fa84556
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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