4-Nitrophenol → HCID 178429819, compound

HRID 307145Notes

Reaction equation

HRID 307145 reaction equation
[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.[Cl:1][c:2]1[c:3]([CH3:24])[c:4]([NH:10][S:11](=[O:12])(=[O:13])[N:14]2[C:15]([C:20](=[O:21])[OH:22])([CH3:23])[CH:16]([OH:19])[CH2:17][CH2:18]2)[cH:5][cH:6][c:7]1[C:8]#[N:9].[N+:40]([c:41]1[cH:42][cH:43][c:44]([OH:45])[cH:46][cH:47]1)([O-:48])=[O:49]>>[Cl:1][c:2]1[c:3]([CH3:24])[c:4]([N:10]2[S:11](=[O:12])(=[O:13])[N:14]3[C:15]([CH3:23])([CH:16]([OH:19])[CH2:17][CH2:18]3)[C:20]2=[O:21])[cH:5][cH:6][c:7]1[C:8]#[N:9]

Participants

5

Reactant 4

HCID 9804-NitrophenolHCID 6342AcetonitrileHCID 10868DicyclohexylcarbodiimideHCID 69035547HCID 69035547, compound

Product 1

HCID 178429819HCID 178429819, compound

Sources & evidence

ORD record
ord-73c3dc0cf9b54dfb8592de6d93a7adee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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