Toluene → HCID 58307335, compound

HRID 299967Notes

Reaction equation

HRID 299967 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[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].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:40][CH2:41][Cl:42].[Cs+:31].[Cs+:32].[NH2:16][c:17]1[cH:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[cH:25][cH:26]1.[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Pd:43].[Pd:44]>>[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][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[cH:25][cH:26]2)[cH:11][cH:12][cH:13]1)=[O:15]

Participants

9

Reactant 8

HCID 1140TolueneHCID 6344DichloromethaneHCID 70572-NaphthylamineHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 2326127Dimethyl 3-iodophthalate

Product 1

HCID 58307335HCID 58307335, compound

Sources & evidence

ORD record
ord-f91f858a28d64dba9c8e334ce05fc4ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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