Acetonitrile → HCID 178471706, 화합물

HRID 109586

반응식

HRID 109586 반응식
[CH2:21]([CH3:22])[O:23][C:24]([CH2:25][CH2:26][C:27](=[O:28])[c:29]1[c:30]([OH:36])[cH:31][cH:32][c:33]([Cl:35])[cH:34]1)=[O:37].[CH3:48][C:49]#[N:50].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1.[N:38]12[CH2:39][CH2:40][CH2:41][NH:42][C:43]1=[N:44][CH2:45][CH2:46][CH2:47]2>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1)[O:36][c:30]1[c:29]([C:27]([CH2:26][CH2:25][C:24]([O:23][CH2:21][CH3:22])=[O:37])=[O:28])[cH:34][c:33]([Cl:35])[cH:32][cH:31]1

참가 물질

5

출처 및 근거

ORD 기록
ord-ebba096b89484674b27bbb480ed0aaf6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…