Ethanol → tert-butyl 9-[2-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:12]1[O:11][CH2:10][CH2:9][N:8]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:7]2.[CH3:35][CH2:36][OH:37].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[F:20][C:21]([O:22][c:23]1[c:24]([B:29]([OH:30])[OH:31])[cH:25][cH:26][cH:27][cH:28]1)([F:32])[F:33].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:34].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:24]2[c:23]([O:22][C:21]([F:20])([F:32])[F:33])[cH:28][cH:27][cH:26][cH:25]2)[cH:3][cH:4][cH:5][c:6]2[c:12]1[O:11][CH2:10][CH2:9][N:8]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:7]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-a3054177e2ad446cab4b172b9dbc1d90
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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