Potassium Cation → [6-({Methyl-[3-(4-trifluoromethoxy-phenyl)-prop-2-ynyl]-carbamoyl}-methyl)-indol-1-yl]-acetic acid ethyl ester

HRID 1213994Notes

Reaction equation

HRID 1213994 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH2:29]([CH3:30])[O:31][C:32]([CH2:33][Br:34])=[O:35].[CH3:44][C:45]#[N:46].[Cs+:40].[Cs+:41].[I-:43].[K+:42].[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:10][C:11](=[O:12])[N:13]([CH2:14][C:15]#[C:16][c:17]3[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]3)[CH3:28])[cH:8][c:9]12>>[n:1]1([CH2:33][C:32]([O:31][CH2:29][CH3:30])=[O:35])[cH:2][cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:10][C:11](=[O:12])[N:13]([CH2:14][C:15]#[C:16][c:17]3[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]3)[CH3:28])[cH:8][c:9]12

Participants

8

Reactant 7

HCID 813Potassium CationHCID 6342AcetonitrileHCID 7748Ethyl bromoacetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation2×HCID 688217222-(1H-Indol-6-yl)-N-methyl-N-[3-(4-trifluoromethoxy-phenyl)-prop-2-ynyl]-acetamide

Product 1

HCID 68822717[6-({Methyl-[3-(4-trifluoromethoxy-phenyl)-prop-2-ynyl]-carbamoyl}-methyl)-indol-1-yl]-acetic acid ethyl ester

Sources & evidence

ORD record
ord-0211060202854256868b483655ebd5e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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