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Water → 11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

HRID 205137
Notes
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Reaction equation

HRID 205137 reaction equation
[Br:1][C:2]12[C:3]3([CH3:23])[CH2:4][CH2:5][C:6](=[O:22])[CH:7]=[C:8]3[CH2:9][CH2:10][CH:11]1[CH:12]1[CH2:13][CH2:14][C:15](=[O:21])[C:16]1([CH3:17])[CH2:18][CH:19]2[OH:20].[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[OH2:34].[OH:24][C:25]([CH2:26][SH:27])=[O:28]>>[CH:2]12[C:3]3([CH3:23])[CH2:4][CH2:5][C:6](=[O:22])[CH:7]=[C:8]3[CH2:9][CH2:10][CH:11]1[CH:12]1[CH2:13][CH2:14][C:15](=[O:21])[C:16]1([CH3:17])[CH2:18][CH:19]2[OH:20]
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 962WaterHCID 1133Thioglycolic AcidHCID 8028TetrahydrofuranHCID 178421479HCID 178421479, compound

Product 1

HCID 22279311-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Sources & evidence

ORD record
ord-6e62edc473fd4bf8b73d049da1ed118c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes