Acetonitrile → Des(N'-Methyl-2-nitro-1,1-ethenediaMino) N'-Methylureido Nizatidine

HRID 685051Notes

Reaction equation

[CH3:15][N:16]=[C:17]=[O:18].[CH3:19][C:20]#[N:21].[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[s:6][cH:7][c:8]([CH2:10][S:11][CH2:12][CH2:13][NH2:14])[n:9]1>>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[s:6][cH:7][c:8]([CH2:10][S:11][CH2:12][CH2:13][NH:14][C:17]([NH:16][CH3:15])=[O:18])[n:9]1

Participants

Reactant 3

HCID 6342Acetonitrile

HCID 12228Methyl Isocyanate

HCID 109773182-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole

Product 1

HCID 13121954Des(N'-Methyl-2-nitro-1,1-ethenediaMino) N'-Methylureido Nizatidine

Sources & evidence

ORD record: ord-cabb55122dd44ddfb6dbde9cba91a9b5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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