Potassium Cation → Ethyl 4-((3-aminophenyl)amino)benzoate

HRID 99738Notes

Reaction equation

HRID 99738 reaction equation
[Br:19][c:20]1[cH:21][c:22]([NH2:23])[cH:24][cH:25][cH:26]1.[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH2:10])[cH:11][cH:12]1.[K+:13].[K+:14].[O-:15][C:16]([O-:17])=[O:18].[O:29]=[C:30]([CH:31]=[CH:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Pd:27].[Pd:28]>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH:10][c:20]2[cH:21][c:22]([NH2:23])[cH:24][cH:25][cH:26]2)[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 2337BenzocaineHCID 115623-BromoanilineHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×

Product 1

HCID 21106132Ethyl 4-((3-aminophenyl)amino)benzoate

Sources & evidence

ORD record
ord-50e5d3025a05403184ab44c93a58bf32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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