Toluene → HCID 58307352, compound

HRID 1231406Notes

Reaction equation

HRID 1231406 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH3:16][O:17][c:18]1[cH:19][cH:20][c:21]([NH2:24])[cH:22][cH:23]1.[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].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:38][CH2:39][Cl:40].[Cs+:29].[Cs+:30].[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[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.[Pd:41].[Pd:42]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:24][c:21]2[cH:20][cH:19][c:18]([O:17][CH3:16])[cH:23][cH:22]2)[cH:11][cH:12][cH:13]1)=[O:15]

Participants

9

Reactant 8

HCID 1140TolueneHCID 6344DichloromethaneHCID 7732P-AnisidineHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 2326127Dimethyl 3-iodophthalate

Product 1

HCID 58307352HCID 58307352, compound

Sources & evidence

ORD record
ord-6f846f50a56b449e8f2c963136e79505
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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