Benzene → 3-Benzoyl-10-[2-(trifluoromethoxy)phenyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

HRID 186767Notes

Reaction equation

HRID 186767 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][CH2:11][c:12]2[nH:13][c:14]3[cH:15][cH:16][cH:17][c:18]([Br:23])[c:19]3[c:20]2[CH2:21][CH2:22]1.[C:38](=[O:39])([O-:40])[O-:41].[F:24][C:25]([O:26][c:27]1[c:28]([B:33]([OH:34])[OH:35])[cH:29][cH:30][cH:31][cH:32]1)([F:36])[F:37].[Na+:42].[Na+:43].[cH:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][CH2:11][c:12]2[nH:13][c:14]3[cH:15][cH:16][cH:17][c:18](-[c:28]4[c:27]([O:26][C:25]([F:24])([F:36])[F:37])[cH:32][cH:31][cH:30][cH:29]4)[c:19]3[c:20]2[CH2:21][CH2:22]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 27772042-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)HCID 223966193-Benzoyl-10-bromo-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

Product 1

HCID 223965673-Benzoyl-10-[2-(trifluoromethoxy)phenyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

Sources & evidence

ORD record
ord-264fde59d41b41eb93068d5d4c50caaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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