Hydrochloric Acid → Triadimenol

HRID 697096

반응식

HRID 697096 반응식
[BH4-:21].[C:24](=[O:25])([OH:26])[O-:27].[CH3:29][OH:30].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]([C:8]([C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:19][cH:20]1.[ClH:23].[Na+:22].[Na+:28].[OH2:31]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]([CH:8]([C:9]([CH3:10])([CH3:11])[CH3:12])[OH:13])[n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:19][cH:20]1

참가 물질

8

출처 및 근거

ORD 기록
ord-5fb313f0d4f34bc9b6794b4a19113fbc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

불러오는 중…