Hydrochloric Acid → tert-Butyl (3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-hydroxypropyl)carbamate

HRID 1539105Notes

Reaction equation

HRID 1539105 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[NH:18][CH2:19][CH2:20][C:21](=[O:22])[OH:23].[CH2:25]([N:26]=[C:27]=[N:28][CH2:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34])[CH3:35].[CH3:1][C:2]1([CH3:10])[O:3][C:4](=[O:9])[CH2:5][C:6](=[O:8])[O:7]1.[CH3:36][N:37]([CH3:38])[c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[Cl:45][CH2:46][Cl:47].[ClH:24]>>[CH3:1][C:2]1([CH3:10])[O:3][C:4](=[O:9])[C:5](=[C:21]([CH2:20][CH2:19][NH:18][C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[OH:22])[C:6](=[O:8])[O:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 162492,2-Dimethyl-1,3-dioxane-4,6-dioneHCID 76809N-((1,1-dimethylethoxy)carbonyl)-beta-alanine

Product 1

HCID 54704545tert-Butyl (3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-hydroxypropyl)carbamate

Sources & evidence

ORD record
ord-160a1057c42b4edebb06aaa8951fb6fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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