Pentamethylbenzene → Methyl 2-(3-cyano-4-hydroxyphenyl)isonicotinate

HRID 286200

반응식

HRID 286200 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:25]#[N:26])[cH:11][c:12](-[c:15]2[cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23][n:24]2)[cH:13][cH:14]1.[CH3:27][c:28]1[c:29]([CH3:30])[c:31]([CH3:32])[c:33]([CH3:34])[c:35]([CH3:36])[cH:37]1.[OH:38][S:39]([C:40]([F:41])([F:42])[F:43])(=[O:44])=[O:45]>>[OH:8][c:9]1[c:10]([C:25]#[N:26])[cH:11][c:12](-[c:15]2[cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23][n:24]2)[cH:13][cH:14]1

참가 물질

4

반응물 3

HCID 12784PentamethylbenzeneHCID 62406Trifluoromethanesulfonic acidHCID 66995135Methyl 2-[4-(benzyloxy)-3-cyanophenyl]isonicotinate

생성물 1

HCID 136368377Methyl 2-(3-cyano-4-hydroxyphenyl)isonicotinate

출처 및 근거

ORD 기록
ord-19d21b86c8604810a170b146d3f42bad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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