Water → ethyl (2RS)-2-acetylamino-3-(3-cyanophenyl)propanoate

HRID 1233752

Reaction equation

HRID 1233752 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([C:11]([O-:12])=[O:13])[CH2:14][c:15]1[cH:16][c:17]([C:21]#[N:22])[cH:18][cH:19][cH:20]1.[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH2:31]1[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1.[CH3:25][N:26]([CH3:27])[CH:28]=[O:29].[I-:23].[Li+:24].[OH2:30]>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[CH2:14][c:15]1[cH:16][c:17]([C:21]#[N:22])[cH:18][cH:19][cH:20]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8078CyclohexaneHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 30165Iodide IonHCID 22747914Ethyl 2-acetylamino-2-(3-cyanobenzyl)malonate

Product 1

HCID 85797672ethyl (2RS)-2-acetylamino-3-(3-cyanophenyl)propanoate

Sources & evidence

ORD record
ord-46842398cfac466f8308f5ce1d3d5c34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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