1-Phenylethanol → HCID 178466084, compound
Reaction equation
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:56][CH:57]([OH:58])[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[NH2:34][C:35](=[O:36])[CH:37]1[N:38]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH:39]([c:42]2[cH:43][cH:44][c:45]([OH:48])[cH:46][cH:47]2)[CH2:40][CH2:41]1.[O:20]=[C:21]([O:22][CH:23]([CH3:24])[CH3:25])[N:26]=[N:27][C:28]([O:29][CH:30]([CH3:31])[CH3:32])=[O:33].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH2:34][C:35](=[O:36])[CH:37]1[N:38]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH:39]([c:42]2[cH:43][cH:44][c:45]([O:48][CH:57]([CH3:56])[c:59]3[cH:60][cH:61][cH:62][cH:63][cH:64]3)[cH:46][cH:47]2)[CH2:40][CH2:41]1Participants
6
Sources & evidence
- ORD record
- ord-250c1fc722424a7d811522e26dc4d4b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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