3-Nitrobenzoic acid → HCID 178465962, 화합물

HRID 92031

반응식

HRID 92031 반응식
[C:1]([CH3:2])(=[O:3])[N:4]1[C:5](=[O:16])[CH2:6][c:7]2[cH:8][c:9]([C:13]([CH3:14])=[O:15])[cH:10][cH:11][c:12]21.[N+:17](=[O:18])([O-:19])[c:20]1[cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27][cH:28]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5](=[O:16])[C:6](=[C:23]([c:22]2[cH:21][c:20]([N+:17](=[O:18])[O-:19])[cH:28][cH:27][cH:26]2)[OH:24])[c:7]2[cH:8][c:9]([C:13]([CH3:14])=[O:15])[cH:10][cH:11][c:12]21

참가 물질

3

출처 및 근거

ORD 기록
ord-fe8f23da7e1243c6af1898761f851dce
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…