1,1-Bis(methylthio)-2-nitroethylene → 1-Nitro-2-[2-(2-pyridylmethylthio)ethylamino]-2-[2-((4-bromo-5-imidazolyl)methylthio)ethylamino]ethylene

HRID 1536241Notes

Reaction equation

HRID 1536241 reaction equation
[Br:1][c:2]1[n:3][cH:4][nH:5][c:6]1[CH2:7][S:8][CH2:9][CH2:10][NH2:11].[N+:12]([CH:13]=[C:14]([S:15][CH3:16])[S:17][CH3:18])([O-:19])=[O:20].[N+:21](=[O:22])([O-:23])[CH:24]=[C:25]([NH:26][CH2:27][CH2:28][S:29][CH2:30][c:31]1[c:32]([Br:36])[n:33][cH:34][nH:35]1)[S:37][CH3:38].[NH2:39][CH2:40][CH2:41][S:42][CH2:43][c:44]1[n:45][cH:46][cH:47][cH:48][cH:49]1>>[N+:21](=[O:22])([O-:23])[CH:24]=[C:25]([NH:26][CH2:27][CH2:28][S:29][CH2:30][c:31]1[c:32]([Br:36])[n:33][cH:34][nH:35]1)[NH:39][CH2:40][CH2:41][S:42][CH2:43][c:44]1[n:45][cH:46][cH:47][cH:48][cH:49]1

Participants

5

Reactant 4

HCID 836231,1-Bis(methylthio)-2-nitroethyleneHCID 127889492-(((5-Bromo-1H-imidazol-4-yl)methyl)thio)ethanamineHCID 128894012-((2-Aminoethyl)thiomethyl)pyridineHCID 705440301-nitro-2-methylthio-2-{2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino}ethylene

Product 1

HCID 706245091-Nitro-2-[2-(2-pyridylmethylthio)ethylamino]-2-[2-((4-bromo-5-imidazolyl)methylthio)ethylamino]ethylene

Sources & evidence

ORD record
ord-7d65a535065e483bac49933bff4bab15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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