Acetic Acid → Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-

HRID 122531

반응식

HRID 122531 반응식
[CH3:30][C:31](=[O:32])[OH:33].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[CH:23]([O:24][CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Na:20][C:21]#[N:22].[O:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18][cH:19]1.[OH2:34].[S:1](=[O:2])([OH:3])[O-:4]>>[O:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([CH:15]([OH:16])[C:21]#[N:22])[cH:17][cH:18][cH:19]1

참가 물질

8

출처 및 근거

ORD 기록
ord-46d221be502f4e529f7523d1df7a1ed6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…