Ammonium → 3-(1,1-Dimethylethyl)-1H-indole

HRID 1233169Notes

Reaction equation

HRID 1233169 reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[Br:23].[CH2:27]([N+:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH2:15][CH3:16])([CH3:17])[CH3:18].[Cl-:24].[I-:26].[NH4+:25].[S:51]([O-:52])([C:53]([F:54])([F:55])[F:56])(=[O:57])=[O:58].[S:60]([O-:61])([C:62]([F:63])([F:64])[F:65])(=[O:66])=[O:67].[Zn+2:59].[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][c:3]([C:19]([CH3:20])([CH3:21])[CH3:22])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 798IndoleHCID 1140TolueneHCID 10485t-Butyl bromideHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 32051Zinc(2+)HCID 81531DiisopropylethylamineHCID 2758875Trifluoromethanesulfonate2×

Product 1

HCID 123556673-(1,1-Dimethylethyl)-1H-indole

Sources & evidence

ORD record
ord-9c9784246741493e813205d406ae68cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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