Toluene → HCID 58307319, compound

HRID 152226Notes

Reaction equation

HRID 152226 reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[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].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl:39][CH2:40][Cl:41].[Cs+:30].[Cs+:31].[NH2:16][c:17]1[cH:18][c:19]2[c:23]([cH:24][cH:25]1)[CH2:22][CH2:21][CH2:20]2.[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Pd:42].[Pd:43]>>[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[c:23]([cH:24][cH:25]2)[CH2:22][CH2:21][CH2:20]3)[cH:11][cH:12][cH:13]1)=[O:15]

Participants

9

Reactant 8

HCID 1140TolueneHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 90496Indan-5-amineHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 2326127Dimethyl 3-iodophthalate

Product 1

HCID 58307319HCID 58307319, compound

Sources & evidence

ORD record
ord-3c2f6201893849e0a3ffcda7248367f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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