Hydrochloric Acid → 1-((2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)-3-(4-nitrophenyl)urea

HRID 110957

Reaction equation

HRID 110957 reaction equation
[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:39][C:40]#[N:41].[ClH:38].[N:26](=[C:27]=[O:28])[c:29]1[cH:30][cH:31][c:32]([N+:35](=[O:36])[O-:37])[cH:33][cH:34]1.[NH2:6][CH2:7][c:8]1[cH:9][c:10]2[c:14]([cH:15][cH:16]1)[C:13](=[O:17])[N:12]([CH:18]1[C:19](=[O:25])[NH:20][C:21](=[O:24])[CH2:22][CH2:23]1)[CH2:11]2>>[NH:6]([CH2:7][c:8]1[cH:9][c:10]2[c:14]([cH:15][cH:16]1)[C:13](=[O:17])[N:12]([CH:18]1[C:19](=[O:25])[NH:20][C:21](=[O:24])[CH2:22][CH2:23]1)[CH2:11]2)[C:27]([NH:26][c:29]1[cH:30][cH:31][c:32]([N+:35](=[O:36])[O-:37])[cH:33][cH:34]1)=[O:28]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 66012Benzene, 1-isocyanato-4-nitro-HCID 594432803-(5-(Aminomethyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione

Product 1

HCID 462009141-((2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)-3-(4-nitrophenyl)urea

Sources & evidence

ORD record
ord-733db66b72cb4c4c901c972cccbc42e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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