Stilbene → 2-[2-[4-[(4-Methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-2-sulfophenyl]ethyl]-5-[(4-methylsulfonylbenzoyl)amino]benzenesulfonic acid
반응식
[CH3:15][O:16][c:17]1[c:18]([S:61](=[O:62])(=[O:63])[N:64]2[CH2:65][CH2:66][O:67][CH2:68][CH2:69]2)[cH:19][c:20]([C:21](=[O:22])[NH:23][c:24]2[cH:25][cH:26][c:27]([CH:34]=[CH:35][c:36]3[c:37]([S:55](=[O:56])(=[O:57])[OH:58])[cH:38][c:39]([NH:42][C:43]([c:44]4[cH:45][cH:46][c:47]([S:50](=[O:51])(=[O:52])[CH3:53])[cH:48][cH:49]4)=[O:54])[cH:40][cH:41]3)[c:28]([S:30](=[O:31])(=[O:32])[OH:33])[cH:29]2)[cH:59][cH:60]1.[c:1]1([CH:2]=[CH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[CH3:15][O:16][c:17]1[c:18]([S:61](=[O:62])(=[O:63])[N:64]2[CH2:65][CH2:66][O:67][CH2:68][CH2:69]2)[cH:19][c:20]([C:21](=[O:22])[NH:23][c:24]2[cH:25][cH:26][c:27]([CH2:34][CH2:35][c:36]3[c:37]([S:55](=[O:56])(=[O:57])[OH:58])[cH:38][c:39]([NH:42][C:43]([c:44]4[cH:45][cH:46][c:47]([S:50](=[O:51])(=[O:52])[CH3:53])[cH:48][cH:49]4)=[O:54])[cH:40][cH:41]3)[c:28]([S:30](=[O:31])(=[O:32])[OH:33])[cH:29]2)[cH:59][cH:60]1참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-742d5b5d415141f4a5827bc8e93bfec7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)