Acetone → HCID 22123596, compound

HRID 2123539Notes

Reaction equation

HRID 2123539 reaction equation
[Br:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][Cl:39].[CH3:43][C:44](=[O:45])[CH3:46].[Na+:41].[OH-:40].[OH2:42].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:32])[CH:9]([c:22]3[cH:23][cH:24][c:25]([O:28][CH2:29][O:30][CH3:31])[cH:26][cH:27]3)[CH2:10][O:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([O:18][CH2:19][O:20][CH3:21])[cH:17]3)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:32])[CH:9]([c:22]3[cH:23][cH:24][c:25]([O:28][CH2:29][O:30][CH3:31])[cH:26][cH:27]3)[CH2:10][O:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([O:18][CH2:19][O:20][CH3:21])[cH:17]3)[cH:6][cH:7]1)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][Cl:39]

Participants

7

Reactant 6

HCID 180AcetoneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 960701-Bromo-5-chloropentaneHCID 220333324-Hydroxy-4-(4-hydroxyphenyl)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]chroman

Product 1

HCID 22123596HCID 22123596, compound

Sources & evidence

ORD record
ord-44df453ac8e3413397dfd5dc98798c71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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