Acetate → Methyl 7-(2-propoxymethylphenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

HRID 93604

반응식

HRID 93604 반응식
[CH2:19]([CH2:20][CH3:21])[O:22][CH2:23][c:24]1[c:25]([O:30][B:31]([OH:32])[OH:33])[cH:26][cH:27][cH:28][cH:29]1.[CH3:34][C:35](=[O:36])[O-:37].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:38][CH2:39][Cl:40].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13]>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13])[c:25]1[c:24]([CH2:23][O:22][CH2:19][CH2:20][CH3:21])[cH:29][cH:28][cH:27][cH:26]1

참가 물질

6

출처 및 근거

ORD 기록
ord-ea9876466ee148d6af4d0747ebf3c63f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…