Toluene → HCID 86649429, compound

HRID 170847Notes

Reaction equation

HRID 170847 reaction equation
[Br:1][c:2]1[c:3]([C:7](=[O:8])[O:9][CH3:10])[n:4][cH:5][s:6]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[Cs+:29].[Cs+:30].[c:11]1([C:17](=[NH:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:12][cH:13][cH:14][cH:15][cH:16]1.[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[c:40]3[c:64]([cH:65][cH:66][cH:67]2)[C:61]([CH3:62])([CH3:63])[c:43]2[c:42]([c:47]([P:48]([c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[cH:46][cH:45][cH:44]2)[O:41]3)[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[c:2]1([N:18]=[C:17]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:3]([C:7](=[O:8])[O:9][CH3:10])[n:4][cH:5][s:6]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 136809Benzophenone imineHCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 40787018Methyl 5-bromo-1,3-thiazole-4-carboxylate

Product 1

HCID 86649429HCID 86649429, compound

Sources & evidence

ORD record
ord-834c1d66a77845479c6e998cacc22410
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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