Hydrochloric Acid → HCID 178495544, compound

HRID 176808Notes

Reaction equation

HRID 176808 reaction equation
[CH3:21][S:22][C:23]([S:24][CH3:25])=[CH:26][N+:27]([O-:28])=[O:29].[CH3:2][O:3][CH2:4][CH2:5][CH2:6][O:7][CH:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH:15]1[CH2:16][CH2:17][CH2:18][NH:19][CH2:20]1.[CH3:39][O:40][CH2:41][CH2:42][CH2:43][O:44][CH:45]([CH:46]1[CH2:47][N:48]([C:52](=[CH:53][N+:54](=[O:55])[O-:56])[S:57][CH3:58])[CH2:49][CH2:50][CH2:51]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:83][C:84]#[N:85].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[ClH:1].[NH2:65][CH:66]([CH2:67][NH:68][C:69]([O:70][C:71]([CH3:72])([CH3:73])[CH3:74])=[O:75])[CH2:76][CH:77]1[CH2:78][CH2:79][CH2:80][CH2:81][CH2:82]1>>[CH3:39][O:40][CH2:41][CH2:42][CH2:43][O:44][CH:45]([CH:46]1[CH2:47][N:48]([C:52](=[CH:53][N+:54](=[O:55])[O-:56])[NH:65][CH:66]([CH2:67][NH:68][C:69]([O:70][C:71]([CH3:72])([CH3:73])[CH3:74])=[O:75])[CH2:76][CH:77]2[CH2:78][CH2:79][CH2:80][CH2:81][CH2:82]2)[CH2:49][CH2:50][CH2:51]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 836231,1-Bis(methylthio)-2-nitroethyleneHCID 574196003-((3-Methoxypropoxy)(phenyl)methyl)piperidineHCID 671913393-[3-Methoxypropoxy(phenyl)methyl]-1-(1-methylsulfanyl-2-nitroethenyl)piperidineHCID 72282993tert-butyl N-(2-amino-3-cyclohexylpropyl)carbamate

Product 1

HCID 178495544HCID 178495544, compound

Sources & evidence

ORD record
ord-95c0e762e0c44fd7ad8f5d8b76a3e738
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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