Tetrahydrofuran → 4-[5-[[5-amino-3-methyl-2-[3-[5-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanylthiophen-3-yl]sulfonylphenyl]phenyl]carbamoylamino]pentoxy]benzoic acid
Reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[NH:26][C:27]([c:28]1[cH:29][c:30]([S:35](=[O:36])(=[O:37])[c:38]2[cH:39][c:40](-[c:44]3[c:45]([NH:61][C:62]([NH:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][O:69][c:70]4[cH:71][cH:72][c:73]([C:74](=[O:75])[OH:76])[cH:77][cH:78]4)=[O:79])[cH:46][c:47]([NH:51][C:52]([O:53][CH2:54][CH2:55][Si:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[cH:48][c:49]3[CH3:50])[cH:41][cH:42][cH:43]2)[c:31]([S:33][CH3:34])[s:32]1)=[NH:80].[CH2:2]([N+:3]([CH2:4][CH2:5][CH2:6][CH3:7])([CH2:8][CH2:9][CH2:10][CH3:11])[CH2:12][CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18].[CH2:81]1[O:82][CH2:83][CH2:84][CH2:85]1.[F-:1]>>[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[NH:26][C:27]([c:28]1[cH:29][c:30]([S:35](=[O:36])(=[O:37])[c:38]2[cH:39][c:40](-[c:44]3[c:45]([NH:61][C:62]([NH:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][O:69][c:70]4[cH:71][cH:72][c:73]([C:74](=[O:75])[OH:76])[cH:77][cH:78]4)=[O:79])[cH:46][c:47]([NH2:51])[cH:48][c:49]3[CH3:50])[cH:41][cH:42][cH:43]2)[c:31]([S:33][CH3:34])[s:32]1)=[NH:80]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-5429695bcb3c4bca9ecdb30e7d24e594
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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