Dimethyl Sulfoxide → 8-Trifluoromethylcaffeine

HRID 1122208

반응식

HRID 1122208 반응식
[CH3:1][n:2]1[cH:3][n:4][c:5]2[n:6]([CH3:7])[c:8](=[O:9])[n:10]([CH3:11])[c:12](=[O:13])[c:14]12.[CH3:28][S:29](=[O:30])[CH3:31].[F:20][C:21]([F:22])([F:23])[I:24].[Fe:27].[OH:25][OH:26].[S:15](=[O:16])(=[O:17])([OH:18])[OH:19]>>[CH3:1][n:2]1[c:3]([C:21]([F:20])([F:22])[F:23])[n:4][c:5]2[n:6]([CH3:7])[c:8](=[O:9])[n:10]([CH3:11])[c:12](=[O:13])[c:14]12

참가 물질

7

출처 및 근거

ORD 기록
ord-12964af9a1074b3f99530c180220516f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

불러오는 중…