21-(Acetyloxy)-17-hydroxy-16b-methyl-pregna-1,4,9(11)-triene-3,20-dione → 17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one

HRID 296825

반응식

HRID 296825 반응식
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][C:6](=[O:7])[C:8]1([OH:29])[CH:9]([CH3:28])[CH2:10][CH:11]2[CH:12]3[CH2:13][CH2:14][C:15]4=[CH:16][C:17](=[O:27])[CH:18]=[CH:19][C:20]4([CH3:26])[C:21]3=[CH:22][CH2:23][C:24]12[CH3:25].[C:30]([O:31][CH2:32][C:33](=[O:34])[CH:35]1[C:36]2([CH3:37])[CH:38]([CH:39]3[C:40](=[CH:41][CH2:42]2)[C:43]2([CH3:44])[C:45](=[CH:46][C:47](=[O:48])[CH2:49][CH2:50]2)[CH2:51][CH2:52]3)[CH2:53][CH:54]1[CH3:55])(=[O:56])[CH3:57]>>[OH:4][CH2:5][C:6](=[O:7])[C:8]1([OH:29])[CH:9]([CH3:28])[CH2:10][CH:11]2[CH:12]3[CH2:13][CH2:14][C:15]4=[CH:16][C:17](=[O:27])[CH:18]=[CH:19][C:20]4([CH3:26])[C:21]3=[CH:22][CH2:23][C:24]12[CH3:25]

참가 물질

3

반응물 2

HCID 374448221-(Acetyloxy)-17-hydroxy-16b-methyl-pregna-1,4,9(11)-triene-3,20-dioneHCID 76046270[2-Oxo-2-(10,13,16-trimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)ethyl] acetate

생성물 1

HCID 49684717-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one

출처 및 근거

ORD 기록
ord-fd3e5a03e29c415c9156b62ade96dda6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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