Acetate → Desmethyl Erlotinib Acetate

HRID 86300

반응식

HRID 86300 반응식
[C:30]([CH3:31])(=[O:32])[O-:33].[Cl:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[c:9]([NH:21][c:22]3[cH:23][c:24]([C:28]#[CH:29])[cH:25][cH:26][cH:27]3)[n:10][cH:11][n:12][c:13]2[cH:14][c:15]1[O:16][CH2:17][CH2:18][O:19][CH3:20].[ClH:1].[Cs+:34].[N:35]#[N:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH2:3]([CH2:4][O:5][c:6]1[cH:7][c:8]2[c:9]([NH:21][c:22]3[cH:23][c:24]([C:28]#[CH:29])[cH:25][cH:26][cH:27]3)[n:10][cH:11][n:12][c:13]2[cH:14][c:15]1[O:16][CH2:17][CH2:18][O:19][CH3:20])[O:33][C:30]([CH3:31])=[O:32]

참가 물질

7

출처 및 근거

ORD 기록
ord-9436821fc46444ecaefe8dd8f2a12673
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…