3-Methanesulfonylbenzoic acid → HCID 45485696, 화합물

HRID 142425

반응식

HRID 142425 반응식
[CH3:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][cH:27]1.[Cl:1][c:2]1[c:3](-[c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[cH:4][c:5]([NH2:6])[cH:7][cH:8]1>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[cH:4][c:5]([NH:6][C:22]([c:21]2[cH:20][c:19]([S:16]([CH3:15])(=[O:17])=[O:18])[cH:27][cH:26][cH:25]2)=[O:23])[cH:7][cH:8]1

참가 물질

3

출처 및 근거

ORD 기록
ord-95ca9b6e9ac74ec6984180ea5d77459d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…