Water → N-[4-(1-Hydroxy-1-methyl-ethyl)-benzyl]-2-(3-methylsulfanyl-phenoxy)-nicotinamide

HRID 2149064

Reaction equation

HRID 2149064 reaction equation
[CH3:1][S:2][c:3]1[cH:4][c:5]([O:6][c:7]2[c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14][n:15]2)[cH:16][cH:17][cH:18]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[NH2:19][CH2:20][c:21]1[cH:22][cH:23][c:24]([C:27]([CH3:28])([CH3:29])[OH:30])[cH:25][cH:26]1.[OH2:31].[OH2:47].[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[CH3:1][S:2][c:3]1[cH:4][c:5]([O:6][c:7]2[c:8]([C:9](=[O:11])[NH:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([C:27]([CH3:28])([CH3:29])[OH:30])[cH:25][cH:26]3)[cH:12][cH:13][cH:14][n:15]2)[cH:16][cH:17][cH:18]1

Participants

6

Reactant 5

HCID 962Water2×HCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 101542112-[4-(aminomethyl)phenyl]propan-2-olHCID 218771742-[3-(Methylsulfanyl)phenoxy]nicotinic acid

Product 1

HCID 22612047N-[4-(1-Hydroxy-1-methyl-ethyl)-benzyl]-2-(3-methylsulfanyl-phenoxy)-nicotinamide

Sources & evidence

ORD record
ord-bf0da736be5c43e9b3150401791330bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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