Benzene → 1-Isothiocyanato-3-(trifluoromethyl)benzene

HRID 122729

반응식

HRID 122729 반응식
[CH2:1]([O:2][N:3]([CH2:4][CH2:5][N:6]1[C:7](=[O:8])[c:9]2[cH:23][cH:24][cH:25][cH:26][c:27]2[C:28]1=[O:29])[C:10](=[S:11])[NH:12][c:13]1[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[C:10](=[S:11])=[N:12][c:13]1[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]1

참가 물질

3

출처 및 근거

ORD 기록
ord-89ba1469b70f460cabc76a7bb701fd93
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…