1-Propanol → HCID 178510431, compound

HRID 87928Notes

Reaction equation

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

Participants

Reactant 4

HCID 10311-Propanol

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 587548354-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid (4-carbamoyl-2-cyclohex-1-enyl-phenyl)-amide

Product 1

HCID 178510431HCID 178510431, compound

Sources & evidence

ORD record: ord-b6a8fefcc9fc41afa6f657bb42b54ba9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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