Toluene → HCID 58961606, compound

HRID 1128355Notes

Reaction equation

HRID 1128355 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9](-[c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[c:10](-[c:12]2[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[n:11]1.[Cs+:40].[Cs+:41].[F:27][c:28]1[cH:29][c:30]([OH:35])[cH:31][cH:32][c:33]1[F:34]>>[c:2]1([O:35][c:30]2[cH:29][c:28]([F:27])[c:33]([F:34])[cH:32][cH:31]2)[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9](-[c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[c:10](-[c:12]2[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[n:11]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 19660Carbonate IonHCID 759273,4-DifluorophenolHCID 104967Cesium cation2×HCID 10309849HCID 10309849, compound

Product 1

HCID 58961606HCID 58961606, compound

Sources & evidence

ORD record
ord-9d4c572ae3ee4b12b324f8ca28599814
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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