Potassium Cation → [2-(7-cyanomethoxy-1H-indol-3-yl)-1,1-dimethyl-ethyl]-carbamic acid tert-butyl ester

HRID 214418

Reaction equation

HRID 214418 reaction equation
[Br:23][CH2:24][C:25]#[N:26].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][c:10]1[cH:11][nH:12][c:13]2[c:14]([OH:19])[cH:15][cH:16][cH:17][c:18]12)([CH3:20])[CH3:21])=[O:22].[CH3:33][C:34](=[O:35])[CH2:36][CH3:37].[K+:27].[K+:28].[O-:29][C:30]([O-:31])=[O:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][c:10]1[cH:11][nH:12][c:13]2[c:14]([O:19][CH2:24][C:25]#[N:26])[cH:15][cH:16][cH:17][c:18]12)([CH3:20])[CH3:21])=[O:22]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6569Methyl Ethyl KetoneHCID 11534BromoacetonitrileHCID 19660Carbonate IonHCID 69519112[2-(7-hydroxy-1H-indol-3-yl)-1,1-dimethyl-ethyl]-carbamic acid tert-butyl ester

Product 1

HCID 69516800[2-(7-cyanomethoxy-1H-indol-3-yl)-1,1-dimethyl-ethyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-c625793cb54e4cd58f819b328deae7b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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