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Toluene → 3-(3-Ethoxy-4-methoxyphenylamino)phthalic acid dimethyl ester

HRID 212124
Notes
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Reaction equation

HRID 212124 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[CH2:16]([CH3:17])[O:18][c:19]1[cH:20][c:21]([NH2:22])[cH:23][cH:24][c:25]1[O:26][CH3:27].[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([I:14])[cH:11][cH:12][cH:13]1)=[O:15].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl:41][CH2:42][Cl:43].[Cs+:32].[Cs+:33].[O:46]=[C:47]([CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Pd:44].[Pd:45]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:22][c:21]2[cH:20][c:19]([O:18][CH2:16][CH3:17])[c:25]([O:26][CH3:27])[cH:24][cH:23]2)[cH:11][cH:12][cH:13]1)=[O:15]
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 1140TolueneHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 2326127Dimethyl 3-iodophthalate
HCID 167919473-Ethoxy-4-methoxyaniline

Product 1

HCID 583072013-(3-Ethoxy-4-methoxyphenylamino)phthalic acid dimethyl ester

Sources & evidence

ORD record
ord-c2ca836e45b44057a02496a4968cde24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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