HCID 86759934, compound → HCID 75026010, compound
Reaction equation
[OH:1][CH:2]1[O:3][C:4](=[O:45])[CH2:5][CH:6]1[NH:7][C:8](=[O:9])[CH2:10][N:11]1[C:12](=[O:44])[CH:13]([NH:31][C:32](=[O:33])[c:34]2[cH:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[cH:42][cH:43]2)[CH2:14][CH:15]=[C:16]([CH2:18][NH:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[CH2:17]1.[OH:46][CH:47]1[CH:48]([NH:49][C:50]([CH2:51][N:52]2[CH2:53][C:54]([CH2:55][NH:56][S:57]([c:58]3[cH:59][c:60]([CH3:61])[cH:62][cH:63][cH:64]3)(=[O:65])=[O:66])=[CH:67][CH2:68][CH:69]([NH:70][C:71]([c:72]3[cH:73][cH:74][c:75]4[c:76]([cH:77][cH:78][cH:79][cH:80]4)[cH:81]3)=[O:82])[C:83]2=[O:84])=[O:85])[CH2:86][C:87](=[O:88])[O:89]1>>[OH:1][CH:2]1[O:3][C:4](=[O:45])[CH2:5][CH:6]1[NH:7][C:8](=[O:9])[CH2:10][N:11]1[C:12](=[O:44])[CH:13]([NH:31][C:32](=[O:33])[c:34]2[cH:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[cH:42][cH:43]2)[CH2:14][CH:15]=[C:16]([CH2:18][NH:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:17]1Participants
3
Sources & evidence
- ORD record
- ord-0d88c5fabbbd4b35b06baf08ababe73e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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