Phenethyl bromide → HCID 178445347, compound
Reaction equation
[Br:75][CH2:76][CH2:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH:6]1[O:7][NH:8][C:9](=[O:10])[CH:11]([CH2:12][CH:13]=[CH:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH:21]([C:22](=[O:23])[NH:24][N:25]([CH2:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[S:34](=[O:35])(=[O:36])[CH3:37])[CH2:38][CH:39]([CH3:40])[CH3:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH:47]1[O:48][NH:49][C:50]([CH:51]([CH:52]([CH2:53][CH:54]([CH3:55])[CH3:56])[C:57]([NH:58][NH:59][S:60]([CH3:61])(=[O:62])=[O:63])=[O:64])[CH2:65][CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)=[O:74]>>[OH:7][NH:8][C:9](=[O:10])[CH:11]([CH2:12][CH:13]=[CH:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH:21]([C:22](=[O:23])[NH:24][N:25]([CH2:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[S:34](=[O:35])(=[O:36])[CH3:37])[CH2:38][CH:39]([CH3:40])[CH3:41]Participants
4
Sources & evidence
- ORD record
- ord-eac15394a45241f78d4ef00704a1bf89
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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