tert-Butanol → HCID 90996333, compound
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[O:12][CH:13]2[C:14]([CH3:46])([O:47][CH:48]([O:49][CH2:50][CH3:51])[CH3:52])[CH2:15][CH2:16][CH:17]([OH:45])[CH2:18][C:19](=[O:20])[O:21][CH:22]([C:27](=[CH:28][CH:29]=[CH:30][C:31]([CH2:32][CH:33]3[CH:34]([CH:35]([CH:36]([CH2:37][CH3:38])[OH:39])[CH3:40])[O:41]3)([CH3:42])[OH:43])[CH3:44])[CH:23]([CH3:26])[CH:24]=[CH:25]2)[CH2:8][CH2:9]1.[CH3:70][C:71]([OH:72])([CH3:73])[CH3:74].[O:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1.[c:53]1([CH3:54])[cH:55][cH:56][c:57]([S:58]([O-:59])(=[O:60])=[O:61])[cH:62][cH:63]1.[nH+:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[CH2:1]([CH:2]=[CH2:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[O:12][CH:13]2[C:14]([CH3:46])([OH:47])[CH2:15][CH2:16][CH:17]([OH:45])[CH2:18][C:19](=[O:20])[O:21][CH:22]([C:27](=[CH:28][CH:29]=[CH:30][C:31]([CH2:32][CH:33]3[CH:34]([CH:35]([CH:36]([CH2:37][CH3:38])[OH:39])[CH3:40])[O:41]3)([CH3:42])[OH:43])[CH3:44])[CH:23]([CH3:26])[CH:24]=[CH:25]2)[CH2:8][CH2:9]1Participants
6
Sources & evidence
- ORD record
- ord-4dd2f67a50a342baad7300b30eeabb91
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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