Toluene → 1,2,14-Trihydroxy-12-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylvinyl]-23,25-dimethoxy-17-ethyl-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-3,10,16-trione

HRID 173837

반응식

HRID 173837 반응식
[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[OH:1][C:2]12[C:3](=[O:56])[C:4](=[O:55])[N:5]3[CH2:6][CH2:7][CH2:8][CH2:9][CH:10]3[C:11](=[O:54])[O:12][CH:13]([C:42](=[CH:43][CH:44]3[CH2:45][CH:46]([O:51][CH3:52])[CH:47]([OH:50])[CH2:48][CH2:49]3)[CH3:53])[CH:14]([CH3:41])[CH:15]([OH:40])[CH2:16][C:17](=[O:39])[CH:18]([CH2:37][CH3:38])[CH:19]=[C:20]([CH3:36])[CH2:21][CH:22]([CH3:35])[CH2:23][CH:24]([O:33][CH3:34])[CH:25]([CH:26]([O:30][CH3:31])[CH2:27][CH:28]1[CH3:29])[O:32]2>>[OH:1][C:2]12[CH:3]([OH:56])[C:4](=[O:55])[N:5]3[CH2:6][CH2:7][CH2:8][CH2:9][CH:10]3[C:11](=[O:54])[O:12][CH:13]([C:42](=[CH:43][CH:44]3[CH2:45][CH:46]([O:51][CH3:52])[CH:47]([OH:50])[CH2:48][CH2:49]3)[CH3:53])[CH:14]([CH3:41])[CH:15]([OH:40])[CH2:16][C:17](=[O:39])[CH:18]([CH2:37][CH3:38])[CH:19]=[C:20]([CH3:36])[CH2:21][CH:22]([CH3:35])[CH2:23][CH:24]([O:33][CH3:34])[CH:25]([CH:26]([O:30][CH3:31])[CH2:27][CH:28]1[CH3:29])[O:32]2

참가 물질

3

반응물 2

HCID 1140TolueneHCID 224117-Ethyl-1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

생성물 1

HCID 773814381,2,14-Trihydroxy-12-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylvinyl]-23,25-dimethoxy-17-ethyl-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-3,10,16-trione

출처 및 근거

ORD 기록
ord-e67430762f5544d68a1cae7af2a127d7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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