Sodium ion → 7-(Benzhydrylideneamino)-3-(4-chlorophenyl)-2-isopropyl-8-methoxy-chromen-4-one

HRID 94470

Reaction equation

HRID 94470 reaction equation
[C:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[NH:51].[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:29]([CH3:30])[CH3:31])[o:10][c:11]3[c:12]([O:27][CH3:28])[c:13]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[cH:14][cH:15][c:16]3[c:17]2=[O:18])[cH:6][cH:7]1.[Na+:37].[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:59].[Pd:60]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:29]([CH3:30])[CH3:31])[o:10][c:11]3[c:12]([O:27][CH3:28])[c:13]([N:51]=[C:38]([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[cH:14][cH:15][c:16]3[c:17]2=[O:18])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 136809Benzophenone imineHCID 45749132-Methylpropan-2-olateHCID 86625609Trifluoromethanesulfonic acid 3-(4-chlorophenyl)-2-isopropyl-8-methoxy-4-oxo-4H-chromen-7-yl ester

Product 1

HCID 866256107-(Benzhydrylideneamino)-3-(4-chlorophenyl)-2-isopropyl-8-methoxy-chromen-4-one

Sources & evidence

ORD record
ord-5d884ff684bc4a7a8fe22facc7e02bff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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