Sodium ion → Isopropyl 5-[acetyl-(3,5-bistrifluoromethylbenzyl)amino]-8-(benzhydrylideneamino)-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate
Reaction equation
[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)=[NH:20].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH:21]([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[c:28]2[c:29]([cH:53][cH:54][c:55]([Br:57])[cH:56]2)[CH:30]([N:34]([CH2:35][c:36]2[cH:37][c:38]([C:46]([F:47])([F:48])[F:49])[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]2)[C:50]([CH3:51])=[O:52])[CH2:31][CH2:32][CH2:33]1.[Cl:65][CH2:66][Cl:67].[Na+:6].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:68].[Pd:69]>>[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)=[N:20][c:55]1[cH:54][cH:53][c:29]2[c:28]([cH:56]1)[N:27]([C:25]([O:24][CH:21]([CH3:22])[CH3:23])=[O:26])[CH2:33][CH2:32][CH2:31][CH:30]2[N:34]([CH2:35][c:36]1[cH:37][c:38]([C:46]([F:47])([F:48])[F:49])[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)[C:50]([CH3:51])=[O:52]Participants
9
Reactant 8
HCID 923Sodium ion
HCID 1140Toluene
HCID 6344Dichloromethane
HCID 23938Palladium2×
HCID 95417Dibenzylidene acetone3×
HCID 136809Benzophenone imine
HCID 45749132-Methylpropan-2-olate
HCID 59003154Isopropyl 5-[acetyl-(3,5-bistrifluoromethylbenzyl)amino]-8-bromo-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-1be1981bfde943f3aa352c7314d5a31a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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