3-Methylindole-1-ethanol → beta-Isopropyl-alpha,3,7-trimethyl-indole-1-ethanethiol
반응식
[CH3:25][c:26]1[c:27]2[c:28]([cH:29][cH:30][cH:31][cH:32]2)[n:33]([CH2:34][CH2:35][OH:36])[cH:37]1.[CH:38]([CH3:39])([CH3:40])[CH:41]([CH:42]([OH:43])[CH3:44])[n:45]1[cH:46][c:47]([CH3:55])[c:48]2[cH:49][cH:50][cH:51][c:52]([CH3:54])[c:53]12.[n:13]1([CH2:14][CH2:15][OH:16])[c:17]2[c:18]([cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24]1.[n:1]1([CH2:2][CH2:3][SH:12])[c:4]2[c:5]([cH:6][cH:7][cH:8][cH:9]2)[cH:10][cH:11]1>>[SH:12][CH:42]([CH:41]([CH:38]([CH3:39])[CH3:40])[n:45]1[cH:46][c:47]([CH3:55])[c:48]2[cH:49][cH:50][cH:51][c:52]([CH3:54])[c:53]12)[CH3:44]참가 물질
5
출처 및 근거
- ORD 기록
- ord-d948b936fe1c4f0a85d53d00c9010bbe
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)