Acetic Acid → 2-Bromo-1-[8-(tert-butyl)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1-ethanone
Reaction equation
[Br-:19].[Br-:20].[Br-:21].[Br-:73].[Br-:74].[Br-:75].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:16]([CH3:17])=[O:18])[cH:8][c:9]2[c:14]1[O:13][CH2:12][CH2:11][N:10]2[CH3:15].[CH2:22]([N+:23]([CH2:24][CH2:25][CH2:26][CH3:27])([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH3:38].[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH2:56]([N+:57]([CH2:58][CH2:59][CH2:60][CH3:61])([CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH3:72].[CH2:76]([NH3+:77])[CH2:78][CH2:79][CH3:80].[CH2:81]([NH3+:82])[CH2:83][CH2:84][CH3:85].[CH2:86]([NH3+:87])[CH2:88][CH2:89][CH3:90].[CH3:91][C:92](=[O:93])[OH:94]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:16]([CH2:17][Br:19])=[O:18])[cH:8][c:9]2[c:14]1[O:13][CH2:12][CH2:11][N:10]2[CH3:15]Participants
6
Sources & evidence
- ORD record
- ord-2e932728d50543bda5131d20b83e119f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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