Acetic Acid → [Ethoxycarbonyl-(2-thiophen-2-yl-ethyl)-amino]acetic acid ethyl ester

HRID 294637Notes

Reaction equation

HRID 294637 reaction equation
[C:36]([OH:37])(=[O:38])[CH3:39].[C:9]([CH:10]=[O:11])(=[O:12])[O:13][CH2:14][CH3:15].[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35].[Cl:21][C:22](=[O:23])[O:24][CH2:25][CH3:26].[Cl:27][CH2:28][Cl:29].[Na+:20].[O-:16][C:17]([OH:18])=[O:19].[s:1]1[c:2]([CH2:6][CH2:7][NH2:8])[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH2:6][CH2:7][N:8]([CH2:10][C:9](=[O:12])[O:13][CH2:14][CH3:15])[C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:3][cH:4][cH:5]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 10928Ethyl chloroformateHCID 70211Ethyl oxoacetateHCID 116521Thiopheneethanamine

Product 1

HCID 66934051[Ethoxycarbonyl-(2-thiophen-2-yl-ethyl)-amino]acetic acid ethyl ester

Sources & evidence

ORD record
ord-c785e1b037d94fb4bbf6fd2d7c68ccc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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