4-Nitrophenol → HCID 178429821, compound

HRID 682706Notes

Reaction equation

HRID 682706 reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([S:11]([NH:12][c:13]2[c:14]([CH3:22])[c:15]([Cl:21])[c:16]([C:19]#[N:20])[cH:17][cH:18]2)(=[O:23])=[O:24])[CH2:7][CH2:8][CH:9]1[OH:10].[CH3:50][C:51]#[N:52].[CH:25]1([N:26]=[C:27]=[N:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[N+:40]([c:41]1[cH:42][cH:43][c:44]([OH:45])[cH:46][cH:47]1)([O-:48])=[O:49]>>[O:2]=[C:3]1[CH:5]2[N:6]([CH2:7][CH2:8][CH:9]2[OH:10])[S:11](=[O:23])(=[O:24])[N:12]1[c:13]1[c:14]([CH3:22])[c:15]([Cl:21])[c:16]([C:19]#[N:20])[cH:17][cH:18]1

Participants

5

Reactant 4

HCID 9804-NitrophenolHCID 6342AcetonitrileHCID 10868DicyclohexylcarbodiimideHCID 69033882HCID 69033882, compound

Product 1

HCID 178429821HCID 178429821, compound

Sources & evidence

ORD record
ord-5108861d77b7426ca9781a57c05f68c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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