Ammonium → Tert-butyl 7-chloro-6-[1-[4-(3,3-dimethylbutanoyl)phenyl]ethylsulfanyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
Reaction equation
[Br:30][CH:31]([CH3:32])[c:33]1[cH:34][cH:35][c:36]([C:39]([CH2:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[cH:37][cH:38]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH2:99]1[O:100][CH2:101][CH2:102][CH2:103]1.[CH3:89][OH:90].[CH3:93][CH2:94][O:95][C:96]([CH3:97])=[O:98].[Cl-:91].[H-:28].[K+:27].[NH4+:92].[Na+:29].[O:81]=[C:82]1[N:83]([Br:84])[C:85](=[O:86])[CH2:87][CH2:88]1.[OH-:26].[OH:46][CH:47]([c:48]1[cH:49][cH:50][c:51]([C:52](=[O:53])[CH2:54][C:55]([CH3:56])([CH3:57])[CH3:58])[cH:59][cH:60]1)[CH3:61].[c:62]1([P:63]([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)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH:31]([CH3:32])[c:33]3[cH:34][cH:35][c:36]([C:39]([CH2:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[cH:37][cH:38]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1Participants
15
Reactant 14
HCID 223Ammonium
HCID 312Chloride
HCID 813Potassium Cation
HCID 887Methanol
HCID 923Sodium ion
HCID 961Hydroxide
HCID 8028Tetrahydrofuran
HCID 8857Ethyl Acetate
HCID 11776Triphenylphosphine
HCID 67184N-bromobutanimide
HCID 166653Hydride
HCID 576559793-tert-butoxycarbonyl-7-chloro-6-dimethylaminocarbonylthio-2,3,4,5-tetrahydro-1H-benzo[d]azepine
HCID 576565131-[4-(1-Hydroxyethyl)-phenyl]-3,3-dimethylbutan-1-one
HCID 667066661-[4-(1-Bromoethyl)phenyl]-3,3-dimethylbutan-1-oneProduct 1
Sources & evidence
- ORD record
- ord-1b523b9e65b2413d9e0e40339a75f3b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…