Ammonium → tert-butyl N-[2-[3-[4-[1-hydroxy-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]phenyl]prop-2-enoylamino]phenyl]carbamate
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[OH:22])[cH:6][cH:7]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28]([NH:29][c:30]1[c:31]([NH:36][C:37]([CH:38]=[CH2:39])=[O:40])[cH:32][cH:33][cH:34][cH:35]1)=[O:41].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl-:71].[NH4+:72].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Pd:78].[Pd:79].[c:42]1([CH3:43])[cH:44][cH:45][cH:46][cH:47][c:48]1[P:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][c:55]1[CH3:56])[c:57]1[cH:58][cH:59][cH:60][cH:61][c:62]1[CH3:63]>>[c:2]1([CH:39]=[CH:38][C:37]([NH:36][c:31]2[c:30]([NH:29][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:41])[cH:35][cH:34][cH:33][cH:32]2)=[O:40])[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[OH:22])[cH:6][cH:7]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-95dffda58caf49db898fdaa7e29cf169
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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