Acetonitrile → HCID 68735614, compound

HRID 698442Notes

Reaction equation

HRID 698442 reaction equation
[Br:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37].[CH2:24]([N:25]([CH2:26][CH3:27])[CH2:28][CH3:29])[CH3:30].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][C:45]#[N:46].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[c:1]1([CH:7]([CH:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH:8]2[CH2:9][CH2:10][N:11]([CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH2:12][CH2:13]2)[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 7748Ethyl bromoacetateHCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 53853565HCID 53853565, compound

Product 1

HCID 68735614HCID 68735614, compound

Sources & evidence

ORD record
ord-af24631407e34a928b272e029332ebb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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