Water → N-(5-(4-cyanobenzyloxy)-2-(bromoacetyl)aminobenzoyl)-beta-alanine ethyl ester

HRID 1558693Notes

Reaction equation

HRID 1558693 reaction equation
[Br:1][CH2:2][C:3](=[O:4])[Br:5].[CH2:33]([Cl:34])[Cl:35].[CH2:6]([CH3:7])[O:8][C:9]([CH2:10][CH2:11][NH:12][C:13]([c:14]1[c:15]([NH2:30])[cH:16][cH:17][c:18]([O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]2)[cH:19]1)=[O:31])=[O:32].[OH2:36]>>[Br:1][CH2:2][C:3](=[O:4])[NH:30][c:15]1[c:14]([C:13]([NH:12][CH2:11][CH2:10][C:9]([O:8][CH2:6][CH3:7])=[O:32])=[O:31])[cH:19][c:18]([O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]2)[cH:17][cH:16]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 61147Bromoacetyl bromideHCID 19700602HCID 19700602, compound

Product 1

HCID 19700600N-(5-(4-cyanobenzyloxy)-2-(bromoacetyl)aminobenzoyl)-beta-alanine ethyl ester

Sources & evidence

ORD record
ord-e6a4a7296b87483b896ece3f83ad5ee1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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