Ethyl Acetate → Hydrochloric Acid

HRID 1558917Notes

Reaction equation

HRID 1558917 reaction equation
[CH3:12][c:13]1[cH:14][c:15]([NH2:16])[cH:17][cH:18][c:19]1[O:20][c:21]1[cH:22][n:23][c:24]([CH3:27])[cH:25][cH:26]1.[CH3:28][N:29]1[CH2:30][CH2:31][CH2:32][C:33]1=[O:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:11])[c:7]1[N+:8](=[O:9])[O-:10]>>[ClH:1].[c:2]1([NH:16][c:15]2[cH:14][c:13]([CH3:12])[c:19]([O:20][c:21]3[cH:22][n:23][c:24]([CH3:27])[cH:25][cH:26]3)[cH:18][cH:17]2)[n:3][cH:4][n:5][c:6]([Cl:11])[c:7]1[N+:8](=[O:9])[O-:10]

Participants

6

Reactant 4

HCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 203124,6-Dichloro-5-nitropyrimidineHCID 114244343-Methyl-4-((6-methylpyridin-3-yl)oxy)aniline

Product 2

HCID 313Hydrochloric AcidHCID 866157456-chloro-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5-nitropyrimidin-4-amine

Sources & evidence

ORD record
ord-3935e4fc6a064e65a9d44eb744d800ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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