Tetrahydrofuran → 1-Carboxy-1-methylethyl [(3,4-dichloro-6,7,8,8a,9,10-hexahydro-6-oxo-8a-propyl-2-phenanthrenyl)oxy]acetate

HRID 147686

Reaction equation

HRID 147686 reaction equation
[C:26]([n:27]1[cH:28][cH:29][n:30][cH:31]1)([n:32]1[cH:33][cH:34][n:35][cH:36]1)=[O:37].[Cl:1][c:2]1[c:3]([O:21][CH2:22][C:23](=[O:24])[OH:25])[cH:4][c:5]2[c:14]([c:15]1[Cl:16])[C:13]1=[CH:12][C:11](=[O:17])[CH2:10][CH2:9][C:8]1([CH2:18][CH2:19][CH3:20])[CH2:7][CH2:6]2.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH:38][C:39]([C:40](=[O:41])[OH:42])([CH3:43])[CH3:44]>>[Cl:1][c:2]1[c:3]([O:21][CH2:22][C:23](=[O:24])[O:25][C:39]([C:40](=[O:41])[OH:42])([CH3:43])[CH3:44])[cH:4][c:5]2[c:14]([c:15]1[Cl:16])[C:13]1=[CH:12][C:11](=[O:17])[CH2:10][CH2:9][C:8]1([CH2:18][CH2:19][CH3:20])[CH2:7][CH2:6]2

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 116712-Hydroxyisobutyric acidHCID 682631,1'-CarbonyldiimidazoleHCID 21289572[(3,4-Dichloro-6,7,8,8a,9,10-hexahydro-6-oxo-8a-propyl-2-phenanthrenyl)oxy]acetic acid

Product 1

HCID 572896441-Carboxy-1-methylethyl [(3,4-dichloro-6,7,8,8a,9,10-hexahydro-6-oxo-8a-propyl-2-phenanthrenyl)oxy]acetate

Sources & evidence

ORD record
ord-da5ff958d8304683b2e03fb411eb3d85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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