Acetone → HCID 13688952, 화합물

HRID 2135371

반응식

HRID 2135371 반응식
[CH2:37]([CH2:38][O:39][CH3:40])[O:41][CH3:42].[CH3:3][C:4](=[O:5])[CH3:6].[Cl:27][c:28]1[c:29]([CH2:30][Cl:31])[cH:32][cH:33][c:34]([Cl:36])[cH:35]1.[H-:1].[Na+:2].[OH2:43].[n:7]1([CH2:12][CH:13]([CH2:14][S:15][c:16]2[cH:17][cH:18][c:19]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:20][cH:21]2)[OH:26])[cH:8][n:9][cH:10][cH:11]1>>[n:7]1([CH2:12][CH:13]([CH2:14][S:15][c:16]2[cH:17][cH:18][c:19]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:20][cH:21]2)[O:26][CH2:30][c:29]2[c:28]([Cl:27])[cH:35][c:34]([Cl:36])[cH:33][cH:32]2)[cH:8][n:9][cH:10][cH:11]1

참가 물질

8

출처 및 근거

ORD 기록
ord-3d27981a72824ce0822bb6f93e44cc93
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

불러오는 중…