Hydrochloric Acid → Hydrochloric Acid

HRID 1230537Notes

Reaction equation

HRID 1230537 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH:12]([CH2:13][S:14](=[O:15])(=[O:16])[CH3:17])[N:18]2[C:19](=[O:33])[c:20]3[cH:21][cH:22][cH:23][c:24]([NH:28][C:29]([CH2:30][Cl:31])=[O:32])[c:25]3[C:26]2=[O:27])[cH:7][cH:8][c:9]1[O:10][CH3:11].[CH3:34][NH:35][CH3:36].[CH3:43][C:44]#[N:45].[CH3:46][CH2:47][OH:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[ClH:42].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH:12]([CH2:13][S:14](=[O:15])(=[O:16])[CH3:17])[N:18]2[C:19](=[O:33])[c:20]3[cH:21][cH:22][cH:23][c:24]([NH:28][C:29]([CH2:30][N:35]([CH3:34])[CH3:36])=[O:32])[c:25]3[C:26]2=[O:27])[cH:7][cH:8][c:9]1[O:10][CH3:11].[ClH:31]

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 702EthanolHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 187583732-chloro-N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindolin-4-yl}acetamide

Product 2

HCID 313Hydrochloric AcidHCID 117558222-(dimethylamino)-N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide

Sources & evidence

ORD record
ord-57b08a200c9b450cbeb529b368c4a2b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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