Benzonitrile → HCID 9888318, compound

HRID 146287Notes

Reaction equation

HRID 146287 reaction equation
[C:30](#[N:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:1][CH:2]1[N:3]([C:9]([C:10]([C:11]([F:12])([F:13])[F:14])([CH3:15])[OH:16])=[O:17])[CH2:4][CH:5]([CH3:8])[NH:6][CH2:7]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[S:25](=[O:26])(=[O:27])([Cl:28])[Cl:29]>>[CH3:1][CH:2]1[N:3]([C:9]([C:10]([C:11]([F:12])([F:13])[F:14])([CH3:15])[OH:16])=[O:17])[CH2:4][CH:5]([CH3:8])[N:6]([S:25](=[O:26])(=[O:27])[c:35]2[cH:34][cH:33][c:32]([C:30]#[N:31])[cH:37][cH:36]2)[CH2:7]1

Participants

6

Reactant 5

HCID 7505BenzonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24648Sulfuryl chlorideHCID 22498845HCID 22498845, compound

Product 1

HCID 9888318HCID 9888318, compound

Sources & evidence

ORD record
ord-b1b47d679f8a49a4b42c090040226675
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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