Toluene → HCID 67389359, compound

HRID 1145353Notes

Reaction equation

HRID 1145353 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([NH:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[n:11][cH:12][n:13]2)[n:7]1.[Cl:21][c:22]1[c:23]([NH2:24])[c:25]([CH3:29])[cH:26][cH:27][cH:28]1.[Cs+:34].[Cs+:35].[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]>>[c:2]1([NH:24][c:23]2[c:22]([Cl:21])[cH:28][cH:27][cH:26][c:25]2[CH3:29])[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([NH:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[n:11][cH:12][n:13]2)[n:7]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 68972-Chloro-6-methylanilineHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 86646774HCID 86646774, compound

Product 1

HCID 67389359HCID 67389359, compound

Sources & evidence

ORD record
ord-0baa00ffd07b4e7b8f1e8bb91ea2080c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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