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Pregn-5-en-20-one, 3beta-hydroxy- → Iodide Ion

HRID 1240202
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인쇄 미리보기

반응식

HRID 1240202 반응식
[CH:1]12[CH2:2][CH:3]=[C:4]3[CH2:5][CH:6]([OH:7])[CH2:8][CH2:9][C:10]3([CH3:11])[CH:12]1[CH2:13][CH2:14][C:15]1([CH3:16])[CH:17]([C:21]([CH3:22])=[O:23])[CH2:18][CH2:19][CH:20]21.[I-:25].[I:24].[IH:32].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[nH+:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[nH+:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH:1]12[CH2:2][CH:3]=[C:4]3[CH2:5][CH:6]([OH:7])[CH2:8][CH2:9][C:10]3([CH3:11])[CH:12]1[CH2:13][CH2:14][C:15]1([CH3:16])[CH:17]([C:21]([CH2:22][n+:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)=[O:23])[CH2:18][CH2:19][CH:20]21.[I-:25]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 1027Pregn-5-en-20-one, 3beta-hydroxy-HCID 1049PyridineHCID 24841Hydrogen iodide2회HCID 30165Iodide IonHCID 4989215Pyridinium2회

생성물 2

HCID 30165Iodide Ion
HCID 4043144
1-[2-(5-Hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadec-7-en-14-yl)-2-oxoethyl]-1-pyridinium

출처 및 근거

ORD 기록
ord-7e3b87ce8d5b478da616b0a76c1748a4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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