4-Nitrophenol → 4-[(7R,7aS)-7-hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methylbenzonitrile

HRID 1210447Notes

Reaction equation

HRID 1210447 reaction equation
[CH3:48][C:49]#[N:50].[CH:23]1([N:24]=[C:25]=[N:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[Cl:1][c:2]1[c:3]([CH3:22])[c:4]([NH:10][C:11](=[O:12])[N:13]2[CH:14]([C:19](=[O:20])[OH:21])[CH:15]([OH:18])[CH2:16][CH2:17]2)[cH:5][cH:6][c:7]1[C:8]#[N:9].[N+:38]([c:39]1[cH:40][cH:41][c:42]([OH:43])[cH:44][cH:45]1)([O-:46])=[O:47]>>[Cl:1][c:2]1[c:3]([CH3:22])[c:4]([N:10]2[C:11](=[O:12])[N:13]3[CH:14]([CH:15]([OH:18])[CH2:16][CH2:17]3)[C:19]2=[O:20])[cH:5][cH:6][c:7]1[C:8]#[N:9]

Participants

5

Reactant 4

HCID 9804-NitrophenolHCID 6342AcetonitrileHCID 10868DicyclohexylcarbodiimideHCID 696404391-[(3-Chloro-4-cyano-2-methylphenyl)carbamoyl]-3-hydroxypyrrolidine-2-carboxylic acid

Product 1

HCID 498234174-[(7R,7aS)-7-hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methylbenzonitrile

Sources & evidence

ORD record
ord-ee50dbe81d6040fcb02beb9ebe2691f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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