Tetrahydrofuran → HCID 178503636, 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](=[O:45])[SH:46]([CH2:47][CH2:48][C:49](=[O:50])[OH:51])[CH3:52])[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:53].[CH2:55]([N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68])[CH2:69][CH2:70][CH3:71].[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[F-:54]>>[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](=[O:45])[SH:46]([CH2:47][CH2:48][C:49](=[O:50])[OH:51])[CH3:52])[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:53]Participants
5
Sources & evidence
- ORD record
- ord-a6d55b67ace849edbdd927b47821ad68
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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