Toluene → HCID 14293327, 화합물

HRID 126605

반응식

HRID 126605 반응식
[C:31]([O:32][CH2:33][CH3:34])(=[O:35])[CH3:36].[CH3:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:16][c:17]1[cH:18][cH:19][c:20]([CH:21]=[CH2:22])[cH:23][cH:24]1.[o:1]1[c:2]([C:6]([CH2:7][n:8]2[cH:9][n:10][cH:11][cH:12]2)=[N+:13]([CH3:14])[O-:15])[cH:3][cH:4][cH:5]1>>[o:1]1[c:2]([C:6]2([CH2:7][n:8]3[cH:9][n:10][cH:11][cH:12]3)[N:13]([CH3:14])[O:15][CH:21]([c:20]3[cH:19][cH:18][c:17]([Cl:16])[cH:24][cH:23]3)[CH2:22]2)[cH:3][cH:4][cH:5]1

참가 물질

6

출처 및 근거

ORD 기록
ord-4152e6f863854cf396b86c7d2623c5d6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…