2-Isopropoxy-5-methylsulfonylbenzoic acid → 2-[4-(2-Isopropoxy-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-thiazole-5-carbonitrile

HRID 1209947Notes

Reaction equation

HRID 1209947 reaction equation
[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1.[N:18]1([c:24]2[s:25][c:26]([C:29]#[N:30])[cH:27][n:28]2)[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:9])[N:21]2[CH2:20][CH2:19][N:18]([c:24]3[s:25][c:26]([C:29]#[N:30])[cH:27][n:28]3)[CH2:23][CH2:22]2)[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1

Participants

3

Reactant 2

HCID 211002372-Isopropoxy-5-methylsulfonylbenzoic acidHCID 211002572-Piperazin-1-yl-thiazole-5-carbonitrile

Product 1

HCID 211002122-[4-(2-Isopropoxy-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-thiazole-5-carbonitrile

Sources & evidence

ORD record
ord-7b864f8fb71f4d0381af87faafb0def4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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