Acetic Acid → Methyl 6-[4-chloro-2-[[1-methoxy-1-oxo-3-[4-(4-phenoxyphenyl)phenyl]propan-2-yl]carbamoyl]anilino]hexanoate

HRID 109854

반응식

HRID 109854 반응식
[C:51]([O:52][BH-:53]([O:54][C:55](=[O:56])[CH3:57])[O:58][C:59](=[O:60])[CH3:61])(=[O:62])[CH3:63].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:10][cH:11]1)[NH:25][C:26]([c:27]1[c:28]([NH2:34])[cH:29][cH:30][c:31]([Cl:33])[cH:32]1)=[O:35])=[O:36].[CH3:37][O:38][C:39]([CH2:40][CH2:41][CH2:42][CH2:43][CH:44]=[O:45])=[O:46].[CH3:47][C:48](=[O:49])[OH:50].[Na+:64]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:10][cH:11]1)[NH:25][C:26]([c:27]1[c:28]([NH:34][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40][C:39]([O:38][CH3:37])=[O:46])[cH:29][cH:30][c:31]([Cl:33])[cH:32]1)=[O:35])=[O:36]

참가 물질

6

출처 및 근거

ORD 기록
ord-ddf4b267ba6b4cd6af0c6289f9a929c4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…