Water → 2-[[2-(4-Methylphenyl)ethanethioyl]amino]-3-phenylpropanoic acid

HRID 697598

Reaction equation

HRID 697598 reaction equation
[CH2:39]([O:40][C:41](=[O:42])[CH3:43])[CH3:44].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][Cl:35])[cH:36][cH:37]1.[NH2:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]([OH:11])=[O:12].[O:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[O:26]=[C:27]=[S:28].[OH2:38]>>[NH:1]([CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]([OH:11])=[O:12])[C:27](=[S:28])[CH2:34][c:33]1[cH:32][cH:31][c:30]([CH3:29])[cH:37][cH:36]1

Participants

8

Reactant 7

HCID 962WaterHCID 994Dl-PhenylalanineHCID 77224-Methylbenzyl chlorideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 10039Carbonyl SulfideHCID 312751,4-Dioxane

Product 1

HCID 227487232-[[2-(4-Methylphenyl)ethanethioyl]amino]-3-phenylpropanoic acid

Sources & evidence

ORD record
ord-1c89be0cf9ff4824a1fee66c977bf586
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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