1,4-Dioxane → HCID 11524223, compound

HRID 2160097Notes

Reaction equation

HRID 2160097 reaction equation
[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[n:3][c:4]([S:14][CH3:15])[n:5][c:6]([CH3:13])[c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12].[NH2:16][c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29]1.[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1>>[c:2]1([NH:16][c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29]2)[n:3][c:4]([S:14][CH3:15])[n:5][c:6]([CH3:13])[c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12]

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 233272Benzoic acid, 4-amino-, 1,1-dimethylethyl esterHCID 22225416Ethyl 4-chloro-6-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylate

Product 1

HCID 11524223HCID 11524223, compound

Sources & evidence

ORD record
ord-41697cd3b181416aa83d5346cf0ae603
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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