9-cis Retinol → 9-cis Retinol

HRID 171983

반응식

HRID 171983 반응식
[CH3:1][C:2]([CH:3]=[CH:4][C:5]1=[C:6]([CH3:7])[CH2:8][CH2:9][CH2:10][C:11]1([CH3:12])[CH3:13])=[CH:14][CH:15]=[CH:16][C:17]([CH3:18])=[CH:19][C:20]([OH:21])=[O:22].[CH3:31][C:32](=[CH:33][CH2:34][OH:35])[CH:36]=[CH:37][CH:38]=[C:39]([CH:40]=[CH:41][C:42]1=[C:49]([CH3:50])[CH2:48][CH2:47][CH2:46][C:43]1([CH3:44])[CH3:45])[CH3:51].[NH2:23][C:24]([CH2:25][OH:26])([CH2:27][OH:28])[CH2:29][OH:30].[SH:52][CH2:53][CH:54]([OH:55])[CH:56]([OH:57])[CH2:58][SH:59]>>[CH3:1][C:2]([CH:3]=[CH:4][C:5]1=[C:6]([CH3:7])[CH2:8][CH2:9][CH2:10][C:11]1([CH3:12])[CH3:13])=[CH:14][CH:15]=[CH:16][C:17]([CH3:18])=[CH:19][CH2:20][OH:21]

참가 물질

5

반응물 4

HCID 10719-cis RetinolHCID 55383,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acidHCID 6503Tris(hydroxymethyl)aminomethaneHCID 190011,4-Dimercapto-2,3-butanediol

생성물 1

HCID 10719-cis Retinol

출처 및 근거

ORD 기록
ord-6985bf9fec6b456bb7f72692f7458bb2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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