HCID 178442594, compound → HCID 178497074, compound
Reaction equation
[I:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH:9]1[CH2:10][CH2:11][C:12]2([CH3:13])[C:14](=[CH:15][CH2:16][CH:17]3[CH:18]2[CH2:19][CH2:20][C:21]2([CH3:22])[CH:23]3[CH2:24][CH2:25][CH:26]2[CH:27]([CH3:28])[CH2:29][CH2:30][CH2:31][CH:32]([CH3:33])[CH3:34])[CH2:35]1.[S:36]([CH:37]1[O:38][CH:39]([CH2:40][OH:41])[CH:42]([OH:43])[CH:44]([OH:45])[CH:46]1[OH:47])[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][O:54][CH:55]1[CH2:56][C:57]2=[CH:58][CH2:59][CH:60]3[CH:61]4[CH2:62][CH2:63][CH:64]([C:74](=[O:75])[O:76][CH3:77])[C:65]4([CH3:66])[CH2:67][CH2:68][CH:69]3[C:70]2([CH3:73])[CH2:71][CH2:72]1>>[I:1][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][O:54][CH:55]1[CH2:56][C:57]2=[CH:58][CH2:59][CH:60]3[CH:61]4[CH2:62][CH2:63][CH:64]([C:74](=[O:75])[O:76][CH3:77])[C:65]4([CH3:66])[CH2:67][CH2:68][CH:69]3[C:70]2([CH3:73])[CH2:71][CH2:72]1Participants
3
Sources & evidence
- ORD record
- ord-21cc8f8917cd4eeca7597ef101a0d4b9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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