Chloride → [2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 3-ethoxypropanoate

HRID 92135

반응식

HRID 92135 반응식
[CH2:29]([CH3:30])[O:31][CH2:32][CH2:33][C:34](=[O:35])[OH:36].[Cl-:28].[OH:1][CH:2]1[CH:3]2[C:4]3([CH3:27])[CH:5]=[CH:6][C:7](=[O:26])[CH:8]=[C:9]3[CH:10]([CH3:25])[CH2:11][CH:12]2[CH:13]2[CH2:14][CH2:15][C:16]([C:17]([CH2:18][OH:19])=[O:20])([OH:24])[C:21]2([CH3:23])[CH2:22]1>>[OH:1][CH:2]1[CH:3]2[C:4]3([CH3:27])[CH:5]=[CH:6][C:7](=[O:26])[CH:8]=[C:9]3[CH:10]([CH3:25])[CH2:11][CH:12]2[CH:13]2[CH2:14][CH2:15][C:16]([C:17]([CH2:18][O:19][C:34]([CH2:33][CH2:32][O:31][CH2:29][CH3:30])=[O:35])=[O:20])([OH:24])[C:21]2([CH3:23])[CH2:22]1

참가 물질

4

반응물 3

HCID 312ChlorideHCID 41596-alpha-MethylprednisoloneHCID 613513-Ethoxypropionic acid

생성물 1

HCID 178467870[2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 3-ethoxypropanoate

출처 및 근거

ORD 기록
ord-2e9f40e0242545328ba8aecf7067431e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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