3-(4-Pyridyl)aniline → Methyl 5-chloro-2-[[2-[2-oxo-2-(3-pyridin-4-ylanilino)ethyl]sulfanylacetyl]amino]benzoate

HRID 321041Notes

Reaction equation

HRID 321041 reaction equation
[Cl:14][c:15]1[cH:16][c:17]([C:30](=[O:31])[O:32][CH3:33])[c:18]([NH:21][C:22]([CH2:23][S:24][CH2:25][C:26](=[O:27])[OH:28])=[O:29])[cH:19][cH:20]1.[n:1]1[cH:2][cH:3][c:4](-[c:7]2[cH:8][c:9]([NH2:10])[cH:11][cH:12][cH:13]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:7]2[cH:8][c:9]([NH:10][C:26]([CH2:25][S:24][CH2:23][C:22]([NH:21][c:18]3[c:17]([C:30](=[O:31])[O:32][CH3:33])[cH:16][c:15]([Cl:14])[cH:20][cH:19]3)=[O:29])=[O:27])[cH:11][cH:12][cH:13]2)[cH:5][cH:6]1

Participants

3

Reactant 2

HCID 4595233-(4-Pyridyl)anilineHCID 51040153[(2-([4-Chloro-2-(methoxycarbonyl)phenyl]amino)-2-oxoethyl)sulfanyl]acetic acid

Product 1

HCID 66877613Methyl 5-chloro-2-[[2-[2-oxo-2-(3-pyridin-4-ylanilino)ethyl]sulfanylacetyl]amino]benzoate

Sources & evidence

ORD record
ord-146249b179a54a6a81e0abf5308980fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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