Benzoic Acid → HCID 178486985, compound

HRID 1574323Notes

Reaction equation

HRID 1574323 reaction equation
[C:32]([O:33][C:34](=[O:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)(=[O:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:1][O:2][CH:3]1[C:4]2([CH3:5])[CH:6]([CH2:7][CH2:8]1)[CH:9]1[CH2:10][CH2:11][CH:12]3[CH2:13][C:14](=[O:22])[CH2:15][CH2:16][C:17]3([CH3:18])[CH:19]1[CH2:20][CH2:21]2.[CH3:49][C:50]([O:51][C:52](=[O:53])[CH3:54])=[O:55].[OH:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][O:2][CH:3]1[C:4]2([CH3:5])[CH:6]([CH2:7][CH2:8]1)[CH:9]1[CH2:10][CH2:11][CH:12]3[CH2:13][C:14](=[O:22])[CH:15]([C:24](=[O:23])[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:16][C:17]3([CH3:18])[CH:19]1[CH2:20][CH2:21]2

Participants

5

Reactant 4

HCID 243Benzoic AcidHCID 7167Benzoic anhydrideHCID 7918Acetic AnhydrideHCID 521867617-Methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Product 1

HCID 178486985HCID 178486985, compound

Sources & evidence

ORD record
ord-f2207625d76247e3b037a51510622b0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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