Dimethyl Sulfoxide → 2-Isopropyl-5-(2-nitro-phenylamino)-thiazole-4-carboxylic acid ethyl ester

Reaction equation

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([CH:12]([CH3:13])[CH3:14])[s:9][c:10]1[NH2:11].[CH3:34][S:35]([CH3:36])=[O:37].[F:15][c:16]1[c:17]([N+:22](=[O:23])[O-:24])[cH:18][cH:19][cH:20][cH:21]1.[F:27][C:28]([F:29])([F:30])[C:31]([OH:32])=[O:33].[Li+:26].[OH-:25].[OH2:38]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([CH:12]([CH3:13])[CH3:14])[s:9][c:10]1[NH:11][c:16]1[c:17]([N+:22](=[O:23])[O-:24])[cH:18][cH:19][cH:20][cH:21]1

Participants

Reactant 7

HCID 679Dimethyl Sulfoxide

HCID 961Hydroxide

HCID 962Water

HCID 6422Trifluoroacetic acid

HCID 28486Lithium ion

HCID 738951-Fluoro-2-nitrobenzene

HCID 58860584Ethyl 5-amino-2-isopropyl-1,3-thiazole-4-carboxylate

Product 1

Sources & evidence

ORD record: ord-724e43b1c9db49ce970fac177d32a68b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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