Acetate → 1-benzyl-6-(3-chlorophenyl)-1H-indole

HRID 1234324Notes

Reaction equation

HRID 1234324 reaction equation
[Br-:29].[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[n:18]1[cH:19][cH:20][c:21]2[cH:22][cH:23][c:24]([Br:27])[cH:25][c:26]12.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:30][CH2:31][CH2:32][CH2:33][N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46].[Cl:1][c:2]1[cH:3][c:4]([B:8]([OH:9])[OH:10])[cH:5][cH:6][cH:7]1.[ClH:28].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[OH2:47].[Pd+2:53]>>[Cl:1][c:2]1[cH:3][c:4](-[c:24]2[cH:23][cH:22][c:21]3[cH:20][cH:19][n:18]([CH2:11][c:12]4[cH:13][cH:14][cH:15][cH:16][cH:17]4)[c:26]3[cH:25]2)[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734323(3-Chlorophenyl)boronic acidHCID 220329571-benzyl-6-bromo-1H-indole

Product 1

HCID 220329421-benzyl-6-(3-chlorophenyl)-1H-indole

Sources & evidence

ORD record
ord-677d1b3a7adb450cbab02e9035fe796b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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