4-Nitrobenzyl bromide → HCID 178445345, compound
Reaction equation
[O-:77][N+:78]([c:79]1[cH:80][cH:81][c:82]([CH2:83][Br:84])[cH:85][cH:86]1)=[O:87].[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][c:27]1[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1)[S:36](=[O:37])(=[O:38])[CH3:39])[CH2:40][CH:41]([CH3:42])[CH3:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH:49]1[O:50][NH:51][C:52]([CH:53]([CH:54]([CH2:55][CH:56]([CH3:57])[CH3:58])[C:59]([NH:60][NH:61][S:62]([CH3:63])(=[O:64])=[O:65])=[O:66])[CH2:67][CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)=[O:76]>>[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][c:27]1[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1)[S:36](=[O:37])(=[O:38])[CH3:39])[CH2:40][CH:41]([CH3:42])[CH3:43]Participants
4
Sources & evidence
- ORD record
- ord-89c759784c8a4bfcadcfaf25a9d92015
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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