Tetrahydrofuran → HCID 145857615, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([c:10]1[cH:11][c:12]([S:17](=[O:18])(=[O:19])[c:20]2[cH:21][c:22](-[c:26]3[c:27]([NH:43][C:44]([NH:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][C:51](=[O:52])[OH:53])=[O:54])[cH:28][c:29]([NH:33][C:34]([O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[cH:30][c:31]3[CH3:32])[cH:23][cH:24][cH:25]2)[c:13]([S:15][CH3:16])[s:14]1)=[NH:55].[CH2:74]1[O:75][CH2:76][CH2:77][CH2:78]1.[CH3:57][CH2:58][CH2:59][CH2:60][N+:61]([CH2:62][CH2:63][CH2:64][CH3:65])([CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH2:72][CH3:73].[F-:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([c:10]1[cH:11][c:12]([S:17](=[O:18])(=[O:19])[c:20]2[cH:21][c:22](-[c:26]3[c:27]([NH:43][C:44]([NH:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][C:51](=[O:52])[OH:53])=[O:54])[cH:28][c:29]([NH2:33])[cH:30][c:31]3[CH3:32])[cH:23][cH:24][cH:25]2)[c:13]([S:15][CH3:16])[s:14]1)=[NH:55]Participants
5
Sources & evidence
- ORD record
- ord-a888c0f84de44f1383248028dbb89ec8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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