(+/-)-6-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-4-bromo-2,3,6,7,8,9-hexahydro-1H-10-aza-cyclohepta[e]indene-10-carboxylic acid isopropyl ester → (+/-)-6-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-4-methyl-2,3,6,7,8,9-hexahydro-1H-10-aza-cyclohepta[e]indene-10-carboxylic acid isopropyl ester
Reaction equation
[CH:36]([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[N:42]1[CH2:43][CH2:44][CH2:45][CH:46]([N:57]([CH2:58][c:59]2[cH:60][c:61]([C:69]([F:70])([F:71])[F:72])[cH:62][c:63]([C:65]([F:66])([F:67])[F:68])[cH:64]2)[C:73]([CH3:74])=[O:75])[c:47]2[c:48]1[c:49]1[c:53]([c:54]([Br:56])[cH:55]2)[CH2:52][CH2:51][CH2:50]1.[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][c:7]([CH2:15][N:16]([CH:17]2[CH2:18][CH2:19][CH2:20][NH:21][c:22]3[c:23]([CH3:24])[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31][c:32]32)[C:33](=[O:34])[CH3:35])[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14]1>>[CH3:2][c:54]1[c:53]2[c:49]([c:48]3[c:47]([cH:55]1)[CH:46]([N:57]([CH2:58][c:59]1[cH:60][c:61]([C:69]([F:70])([F:71])[F:72])[cH:62][c:63]([C:65]([F:66])([F:67])[F:68])[cH:64]1)[C:73]([CH3:74])=[O:75])[CH2:45][CH2:44][CH2:43][N:42]3[C:40]([O:39][CH:36]([CH3:37])[CH3:38])=[O:41])[CH2:50][CH2:51][CH2:52]2Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-c67b84e5bff2493c81ea81b567a6edb9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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