1-Butanol → Norcyclobenzaprine

HRID 91330Notes

Reaction equation

HRID 91330 reaction equation
[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH3:7][N:8]([CH3:9])[CH2:10][CH2:11][CH:12]=[C:13]1[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[CH:20]=[CH:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]21.[CH:36]([Cl:37])([Cl:38])[Cl:39].[Cl:28][C:29]([O:30][CH2:31][CH3:32])=[O:33].[ClH:6].[K+:35].[Na+:1].[OH-:34].[OH2:40].[OH:2][C:3](=[O:4])[O-:5]>>[CH3:7][NH:8][CH2:10][CH2:11][CH:12]=[C:13]1[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[CH:20]=[CH:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]21

Participants

11

Reactant 10

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 2895CyclobenzaprineHCID 6212ChloroformHCID 10928Ethyl chloroformate

Product 1

HCID 9918Norcyclobenzaprine

Sources & evidence

ORD record
ord-f8bc6ac35de4482a96734193442bd815
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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