Sodium ion → Methyl 3-(bromomethyl)-5-(2-cyanopropan-2-yl)benzoate

HRID 196609

반응식

HRID 196609 반응식
[Br+2:1]([O-:2])([O-:3])[O-:4].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:6][O:7][C:8]([c:9]1[cH:10][c:11]([C:16]([CH3:17])([CH3:18])[C:19]#[N:20])[cH:12][c:13]([CH3:15])[cH:14]1)=[O:21].[Na+:27].[Na+:5].[OH2:28].[S:22]([O-:23])([OH:24])(=[O:25])=[O:26]>>[Br:1][CH2:15][c:13]1[cH:12][c:11]([C:16]([CH3:17])([CH3:18])[C:19]#[N:20])[cH:10][c:9]([C:8]([O:7][CH3:6])=[O:21])[cH:14]1

참가 물질

7

출처 및 근거

ORD 기록
ord-405474c85889426e928b09dd5ebbcd4d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…