Toluene → HCID 58307348, compound

HRID 297569Notes

Reaction equation

HRID 297569 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[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].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl:36][CH2:37][Cl:38].[Cs+:27].[Cs+:28].[NH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Pd:39].[Pd:40]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:11][cH:12][cH:13]1)=[O:15]

Participants

9

Reactant 8

HCID 1140TolueneHCID 6115AnilineHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 2326127Dimethyl 3-iodophthalate

Product 1

HCID 58307348HCID 58307348, compound

Sources & evidence

ORD record
ord-3c116a6b5cf1477dbf5041e9cd6345b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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