Dichloromethane → 7-Hexanoyloxymethyl theophylline

HRID 693531Notes

Reaction equation

HRID 693531 reaction equation
[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])(=[O:7])[Cl:8].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[Cl:38][CH2:39][Cl:40].[Cl:41][CH2:42][Cl:43].[OH:9][CH2:10][n:11]1[cH:12][n:13][c:14]2[n:15]([CH3:23])[c:16](=[O:22])[n:17]([CH3:18])[c:19](=[O:21])[c:20]12>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])(=[O:7])[O:9][CH2:10][n:11]1[cH:12][n:13][c:14]2[n:15]([CH3:23])[c:16](=[O:22])[n:17]([CH3:18])[c:19](=[O:21])[c:20]12

Participants

6

Reactant 5

HCID 6344Dichloromethane2×HCID 8471TriethylamineHCID 8900HeptaneHCID 641347-Hydroxymethyl theophyllineHCID 67340Hexanoyl chloride

Product 1

HCID 234551707-Hexanoyloxymethyl theophylline

Sources & evidence

ORD record
ord-babd297ad8b54c84be88e9c0d367e947
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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