Carbon Dioxide → 1-Benzoylazepan-2-one

HRID 678716Notes

Reaction equation

HRID 678716 reaction equation
[C:10]1(=[O:17])[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][NH:16]1.[C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)(=[O:31])[Cl:32].[C:33](=[O:34])=[O:35].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Na+:18].[Na+:19].[O-:20][C:21](=[O:22])[O-:23].[OH2:36]>>[C:10]1(=[O:17])[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)=[O:31]

Participants

9

Reactant 8

HCID 280Carbon DioxideHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 7412Benzoyl chlorideHCID 7768CaprolactamHCID 19660Carbonate IonHCID 81531Diisopropylethylamine

Product 1

HCID 2244711-Benzoylazepan-2-one

Sources & evidence

ORD record
ord-f984c827af17404b8300f82069850a5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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