2-[[2-(3,5-Difluorophenyl)acetyl]amino]propanoic acid → 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-oxo-1-pyridin-4-yl-2,4-dihydro-1H-isoquinolin-4-yl)propanamide

HRID 117139Notes

Reaction equation

HRID 117139 reaction equation
[F:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:11])[NH:12][CH:13]([CH3:14])[C:15](=[O:16])[OH:17])[cH:5][c:6]([F:8])[cH:7]1.[NH2:18][CH:19]1[C:20](=[O:35])[NH:21][CH:22]([c:29]2[cH:30][cH:31][n:32][cH:33][cH:34]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]21>>[F:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:11])[NH:12][CH:13]([CH3:14])[C:15](=[O:17])[NH:18][CH:19]2[C:20](=[O:35])[NH:21][CH:22]([c:29]3[cH:30][cH:31][n:32][cH:33][cH:34]3)[c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]32)[cH:5][c:6]([F:8])[cH:7]1

Participants

3

Reactant 2

HCID 219429782-[[2-(3,5-Difluorophenyl)acetyl]amino]propanoic acidHCID 223127504-Amino-1-(pyrid-4-yl)-1,2,3,4-tetrahydroisoquinolin-3-one

Product 1

HCID 1784650602-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-oxo-1-pyridin-4-yl-2,4-dihydro-1H-isoquinolin-4-yl)propanamide

Sources & evidence

ORD record
ord-355a9b5cc63848ce9c9caab899ad48a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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