Dichloromethane → 2-[Methyl-[2-(2-methylphenyl)-4-(2-pyridin-3-ylethynyl)benzoyl]amino]-4-methylsulfanylbutanoic acid

HRID 114604

Reaction equation

HRID 114604 reaction equation
[CH3:1][N:2]([CH:3]([CH2:4][CH2:5][S:6][CH3:7])[C:8](=[O:9])[OH:10])[C:11]([c:12]1[c:13](-[c:21]2[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]2)[cH:14][c:15]([C:18]#[C:19][Br:20])[cH:16][cH:17]1)=[O:28].[CH3:29][Sn:30]([c:31]1[cH:32][n:33][cH:34][cH:35][cH:36]1)([CH3:37])[CH3:38].[Cl:39][CH2:40][Cl:41]>>[CH3:1][N:2]([CH:3]([CH2:4][CH2:5][S:6][CH3:7])[C:8](=[O:9])[OH:10])[C:11]([c:12]1[c:13](-[c:21]2[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]2)[cH:14][c:15]([C:18]#[C:19][c:31]2[cH:32][n:33][cH:34][cH:35][cH:36]2)[cH:16][cH:17]1)=[O:28]

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 108684453-(Trimethylstannyl)pyridineHCID 698925722-[[4-(2-Bromoethynyl)-2-(2-methylphenyl)benzoyl]-methylamino]-4-methylsulfanylbutanoic acid

Product 1

HCID 698927202-[Methyl-[2-(2-methylphenyl)-4-(2-pyridin-3-ylethynyl)benzoyl]amino]-4-methylsulfanylbutanoic acid

Sources & evidence

ORD record
ord-58cb39676c4d4f6b9e8fd209bfd9e4c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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